Secoisolariciresinol

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Name
Secoisolariciresinol
Accession Number
DB12179
Type
Small Molecule
Groups
Investigational
Description

Secoisolariciresinol has been used in trials studying the prevention of Breast Cancer.

Structure
Thumb
Synonyms
Not Available
Categories
UNII
M8QRJ7JEJH
CAS number
29388-59-8
Weight
Average: 362.4168
Monoisotopic: 362.172938564
Chemical Formula
C20H26O6
InChI Key
PUETUDUXMCLALY-HOTGVXAUSA-N
InChI
InChI=1S/C20H26O6/c1-25-19-9-13(3-5-17(19)23)7-15(11-21)16(12-22)8-14-4-6-18(24)20(10-14)26-2/h3-6,9-10,15-16,21-24H,7-8,11-12H2,1-2H3/t15-,16-/m0/s1
IUPAC Name
(2R,3R)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]butane-1,4-diol
SMILES
COC1=C(O)C=CC(C[C@@H](CO)[C@H](CO)CC2=CC(OC)=C(O)C=C2)=C1

Pharmacology

Indication
Not Available
Pharmacodynamics
Not Available
Mechanism of action
Not Available
Absorption
Not Available
Volume of distribution
Not Available
Protein binding
Not Available
Metabolism
Not Available
Route of elimination
Not Available
Half life
Not Available
Clearance
Not Available
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
DrugInteractionDrug group
16-BromoepiandrosteroneThe serum concentration of 16-Bromoepiandrosterone can be increased when it is combined with Secoisolariciresinol.Investigational
19-norandrostenedioneThe serum concentration of 19-norandrostenedione can be increased when it is combined with Secoisolariciresinol.Experimental, Illicit
5-androstenedioneThe serum concentration of 5-androstenedione can be increased when it is combined with Secoisolariciresinol.Experimental, Illicit
AbciximabSecoisolariciresinol may decrease the anticoagulant activities of Abciximab.Approved
AceclofenacAceclofenac may increase the thrombogenic activities of Secoisolariciresinol.Approved, Investigational
AcenocoumarolSecoisolariciresinol may decrease the anticoagulant activities of Acenocoumarol.Approved, Investigational
Acetylsalicylic acidAcetylsalicylic acid may increase the thrombogenic activities of Secoisolariciresinol.Approved, Vet Approved
AlclometasoneThe serum concentration of Alclometasone can be increased when it is combined with Secoisolariciresinol.Approved
AldosteroneThe serum concentration of Aldosterone can be increased when it is combined with Secoisolariciresinol.Experimental, Investigational
Ambroxol acefyllinateThe serum concentration of Ambroxol acefyllinate can be increased when it is combined with Secoisolariciresinol.Experimental, Investigational
AmcinonideThe serum concentration of Amcinonide can be increased when it is combined with Secoisolariciresinol.Approved
AminophyllineThe serum concentration of Aminophylline can be increased when it is combined with Secoisolariciresinol.Approved
Aminosalicylic AcidAminosalicylic Acid may increase the thrombogenic activities of Secoisolariciresinol.Approved
AncrodSecoisolariciresinol may decrease the anticoagulant activities of Ancrod.Approved, Investigational
AndrostenedioneThe serum concentration of Androstenedione can be increased when it is combined with Secoisolariciresinol.Experimental, Illicit
AnecortaveThe serum concentration of Anecortave can be increased when it is combined with Secoisolariciresinol.Investigational
anecortave acetateThe serum concentration of anecortave acetate can be increased when it is combined with Secoisolariciresinol.Investigational
Anthrax immune globulin humanSecoisolariciresinol may increase the thrombogenic activities of Anthrax immune globulin human.Approved
AntipyrineAntipyrine may increase the thrombogenic activities of Secoisolariciresinol.Approved, Investigational
Antithrombin III humanSecoisolariciresinol may decrease the anticoagulant activities of Antithrombin III human.Approved
AntrafenineAntrafenine may increase the thrombogenic activities of Secoisolariciresinol.Approved
ApixabanSecoisolariciresinol may decrease the anticoagulant activities of Apixaban.Approved
ArdeparinSecoisolariciresinol may decrease the anticoagulant activities of Ardeparin.Approved, Investigational, Withdrawn
ArgatrobanSecoisolariciresinol may decrease the anticoagulant activities of Argatroban.Approved, Investigational
Ascorbic acidThe serum concentration of Secoisolariciresinol can be increased when it is combined with Vitamin C.Approved, Nutraceutical
AtamestaneThe serum concentration of Atamestane can be increased when it is combined with Secoisolariciresinol.Investigational
BalsalazideBalsalazide may increase the thrombogenic activities of Secoisolariciresinol.Approved, Investigational
BecaplerminSecoisolariciresinol may decrease the anticoagulant activities of Becaplermin.Approved, Investigational
BetamethasoneThe serum concentration of Betamethasone can be increased when it is combined with Secoisolariciresinol.Approved, Vet Approved
BivalirudinSecoisolariciresinol may decrease the anticoagulant activities of Bivalirudin.Approved, Investigational
BromfenacBromfenac may increase the thrombogenic activities of Secoisolariciresinol.Approved
BufexamacBufexamac may increase the thrombogenic activities of Secoisolariciresinol.Approved, Experimental
Capromab pendetideSecoisolariciresinol may decrease effectiveness of Capromab pendetide as a diagnostic agent.Approved
CapsaicinCapsaicin may increase the thrombogenic activities of Secoisolariciresinol.Approved
CarprofenCarprofen may increase the thrombogenic activities of Secoisolariciresinol.Approved, Vet Approved, Withdrawn
CelecoxibCelecoxib may increase the thrombogenic activities of Secoisolariciresinol.Approved, Investigational
CertoparinSecoisolariciresinol may decrease the anticoagulant activities of Certoparin.Approved, Investigational
Chenodeoxycholic acidThe therapeutic efficacy of Chenodeoxycholic acid can be decreased when used in combination with Secoisolariciresinol.Approved
ChlorphenesinChlorphenesin may increase the thrombogenic activities of Secoisolariciresinol.Approved, Vet Approved, Withdrawn
Choline magnesium trisalicylateCholine magnesium trisalicylate may increase the thrombogenic activities of Secoisolariciresinol.Approved
CiclesonideThe serum concentration of Ciclesonide can be increased when it is combined with Secoisolariciresinol.Approved, Investigational
CimicoxibCimicoxib may increase the thrombogenic activities of Secoisolariciresinol.Investigational
CisplatinCisplatin may increase the thrombogenic activities of Secoisolariciresinol.Approved
ClobetasolThe serum concentration of Clobetasol can be increased when it is combined with Secoisolariciresinol.Approved, Investigational
Clobetasol propionateThe serum concentration of Clobetasol propionate can be increased when it is combined with Secoisolariciresinol.Approved
ClobetasoneThe serum concentration of Clobetasone can be increased when it is combined with Secoisolariciresinol.Approved
ClocortoloneThe serum concentration of Clocortolone can be increased when it is combined with Secoisolariciresinol.Approved
Clodronic AcidClodronic Acid may increase the thrombogenic activities of Secoisolariciresinol.Approved, Investigational, Vet Approved
Conestat alfaSecoisolariciresinol may increase the thrombogenic activities of Conestat alfa.Approved, Investigational
Cortexolone 17α-propionateThe serum concentration of Cortexolone 17α-propionate can be increased when it is combined with Secoisolariciresinol.Investigational
CorticosteroneThe serum concentration of Corticosterone can be increased when it is combined with Secoisolariciresinol.Experimental
Cortisone acetateThe serum concentration of Cortisone acetate can be increased when it is combined with Secoisolariciresinol.Approved, Investigational
Dabigatran etexilateSecoisolariciresinol may decrease the anticoagulant activities of Dabigatran etexilate.Approved
DalteparinSecoisolariciresinol may decrease the anticoagulant activities of Dalteparin.Approved
DanaparoidSecoisolariciresinol may decrease the anticoagulant activities of Danaparoid.Approved, Withdrawn
DarexabanSecoisolariciresinol may decrease the anticoagulant activities of Darexaban.Investigational
DeflazacortThe serum concentration of Deflazacort can be increased when it is combined with Secoisolariciresinol.Approved, Investigational
DesirudinSecoisolariciresinol may decrease the anticoagulant activities of Desirudin.Approved
DesonideThe serum concentration of Desonide can be increased when it is combined with Secoisolariciresinol.Approved, Investigational
DesoximetasoneThe serum concentration of Desoximetasone can be increased when it is combined with Secoisolariciresinol.Approved
Desoxycorticosterone acetateThe serum concentration of Desoxycorticosterone acetate can be increased when it is combined with Secoisolariciresinol.Approved
Desoxycorticosterone PivalateThe serum concentration of Desoxycorticosterone Pivalate can be increased when it is combined with Secoisolariciresinol.Experimental, Vet Approved
Dexamethasone isonicotinateThe serum concentration of Dexamethasone isonicotinate can be increased when it is combined with Secoisolariciresinol.Vet Approved
DexibuprofenDexibuprofen may increase the thrombogenic activities of Secoisolariciresinol.Approved, Investigational
DexketoprofenDexketoprofen may increase the thrombogenic activities of Secoisolariciresinol.Approved, Investigational
DextranSecoisolariciresinol may decrease the anticoagulant activities of Dextran.Approved, Investigational, Vet Approved
DicoumarolSecoisolariciresinol may decrease the anticoagulant activities of Dicoumarol.Approved
DiflorasoneThe serum concentration of Diflorasone can be increased when it is combined with Secoisolariciresinol.Approved
DiflunisalDiflunisal may increase the thrombogenic activities of Secoisolariciresinol.Approved, Investigational
DifluocortoloneThe serum concentration of Difluocortolone can be increased when it is combined with Secoisolariciresinol.Approved, Investigational, Withdrawn
DifluprednateThe serum concentration of Difluprednate can be increased when it is combined with Secoisolariciresinol.Approved
DrospirenoneDrospirenone may increase the thrombogenic activities of Secoisolariciresinol.Approved
DroxicamDroxicam may increase the thrombogenic activities of Secoisolariciresinol.Withdrawn
DyphyllineThe serum concentration of Dyphylline can be increased when it is combined with Secoisolariciresinol.Approved
Edetic AcidSecoisolariciresinol may decrease the anticoagulant activities of Edetic Acid.Approved, Vet Approved
EdoxabanSecoisolariciresinol may decrease the anticoagulant activities of Edoxaban.Approved
EnoxaparinSecoisolariciresinol may decrease the anticoagulant activities of Enoxaparin.Approved
EquileninThe serum concentration of Equilenin can be increased when it is combined with Secoisolariciresinol.Experimental
EquilinThe serum concentration of Equilin can be increased when it is combined with Secoisolariciresinol.Approved
EstroneThe serum concentration of Estrone can be increased when it is combined with Secoisolariciresinol.Approved
Estrone sulfateThe serum concentration of Estrone sulfate can be increased when it is combined with Secoisolariciresinol.Approved
EtanerceptEtanercept may increase the thrombogenic activities of Secoisolariciresinol.Approved, Investigational
Ethyl biscoumacetateSecoisolariciresinol may decrease the anticoagulant activities of Ethyl biscoumacetate.Withdrawn
EtodolacEtodolac may increase the thrombogenic activities of Secoisolariciresinol.Approved, Investigational, Vet Approved
EtoricoxibEtoricoxib may increase the thrombogenic activities of Secoisolariciresinol.Approved, Investigational
ExemestaneThe therapeutic efficacy of Exemestane can be decreased when used in combination with Secoisolariciresinol.Approved, Investigational
FenoprofenFenoprofen may increase the thrombogenic activities of Secoisolariciresinol.Approved
Ferulic acidSecoisolariciresinol may decrease the anticoagulant activities of Ferulic acid.Experimental
FluasteroneThe serum concentration of Fluasterone can be increased when it is combined with Secoisolariciresinol.Investigational
FludrocortisoneThe serum concentration of Fludrocortisone can be increased when it is combined with Secoisolariciresinol.Approved, Investigational
FluindioneSecoisolariciresinol may decrease the anticoagulant activities of Fluindione.Approved, Investigational
FlumethasoneThe serum concentration of Flumethasone can be increased when it is combined with Secoisolariciresinol.Approved, Vet Approved
FlunisolideThe serum concentration of Flunisolide can be increased when it is combined with Secoisolariciresinol.Approved, Investigational
Fluocinolone AcetonideThe serum concentration of Fluocinolone Acetonide can be increased when it is combined with Secoisolariciresinol.Approved, Investigational, Vet Approved
FluocinonideThe serum concentration of Fluocinonide can be increased when it is combined with Secoisolariciresinol.Approved, Investigational
FluocortoloneThe serum concentration of Fluocortolone can be increased when it is combined with Secoisolariciresinol.Approved, Withdrawn
FluorometholoneThe serum concentration of Fluorometholone can be increased when it is combined with Secoisolariciresinol.Approved, Investigational
FluprednideneThe serum concentration of Fluprednidene can be increased when it is combined with Secoisolariciresinol.Approved, Withdrawn
FluprednisoloneThe serum concentration of Fluprednisolone can be increased when it is combined with Secoisolariciresinol.Approved
FlurandrenolideThe serum concentration of Flurandrenolide can be increased when it is combined with Secoisolariciresinol.Approved
FlurbiprofenFlurbiprofen may increase the thrombogenic activities of Secoisolariciresinol.Approved, Investigational
FluticasoneThe serum concentration of Fluticasone can be increased when it is combined with Secoisolariciresinol.Approved, Experimental, Investigational
Fluticasone furoateThe serum concentration of Fluticasone furoate can be increased when it is combined with Secoisolariciresinol.Approved
FondaparinuxSecoisolariciresinol may decrease the anticoagulant activities of Fondaparinux sodium.Approved, Investigational
FormestaneThe serum concentration of Formestane can be increased when it is combined with Secoisolariciresinol.Approved, Investigational, Withdrawn
GabexateSecoisolariciresinol may decrease the anticoagulant activities of Gabexate.Investigational
GinsengGinseng may increase the thrombogenic activities of Secoisolariciresinol.Approved, Investigational, Nutraceutical
HalcinonideThe serum concentration of Halcinonide can be increased when it is combined with Secoisolariciresinol.Approved, Investigational, Withdrawn
HE3286The serum concentration of HE3286 can be increased when it is combined with Secoisolariciresinol.Investigational
HeparinSecoisolariciresinol may decrease the anticoagulant activities of Heparin.Approved, Investigational
Human C1-esterase inhibitorSecoisolariciresinol may increase the thrombogenic activities of Human C1-esterase inhibitor.Approved
HyaluronidaseThe therapeutic efficacy of Hyaluronidase can be decreased when used in combination with Secoisolariciresinol.Approved, Investigational
IcosapentIcosapent may increase the thrombogenic activities of Secoisolariciresinol.Approved, Nutraceutical
IdraparinuxSecoisolariciresinol may decrease the anticoagulant activities of Idraparinux.Investigational
IndomethacinIndomethacin may increase the thrombogenic activities of Secoisolariciresinol.Approved, Investigational
IstaroximeThe serum concentration of Istaroxime can be increased when it is combined with Secoisolariciresinol.Investigational
KetoprofenKetoprofen may increase the thrombogenic activities of Secoisolariciresinol.Approved, Vet Approved
LenalidomideSecoisolariciresinol may increase the thrombogenic activities of Lenalidomide.Approved
LepirudinSecoisolariciresinol may decrease the anticoagulant activities of Lepirudin.Approved
LetaxabanSecoisolariciresinol may decrease the anticoagulant activities of Letaxaban.Investigational
LevothyroxineThe therapeutic efficacy of Levothyroxine can be decreased when used in combination with Secoisolariciresinol.Approved
LiothyronineThe therapeutic efficacy of Liothyronine can be decreased when used in combination with Secoisolariciresinol.Approved, Vet Approved
LiotrixThe therapeutic efficacy of Liotrix can be decreased when used in combination with Secoisolariciresinol.Approved
LornoxicamLornoxicam may increase the thrombogenic activities of Secoisolariciresinol.Approved, Investigational
LoteprednolThe serum concentration of Loteprednol can be increased when it is combined with Secoisolariciresinol.Approved
LumiracoxibLumiracoxib may increase the thrombogenic activities of Secoisolariciresinol.Approved, Investigational
Magnesium salicylateMagnesium salicylate may increase the thrombogenic activities of Secoisolariciresinol.Approved
ME-609The serum concentration of ME-609 can be increased when it is combined with Secoisolariciresinol.Investigational
Meclofenamic acidMeclofenamic acid may increase the thrombogenic activities of Secoisolariciresinol.Approved, Vet Approved
MedrysoneThe serum concentration of Medrysone can be increased when it is combined with Secoisolariciresinol.Approved
Mefenamic acidMefenamic acid may increase the thrombogenic activities of Secoisolariciresinol.Approved
MelagatranSecoisolariciresinol may decrease the anticoagulant activities of Melagatran.Experimental
MelengestrolThe serum concentration of Melengestrol can be increased when it is combined with Secoisolariciresinol.Vet Approved
MeloxicamMeloxicam may increase the thrombogenic activities of Secoisolariciresinol.Approved, Vet Approved
MesalazineMesalazine may increase the thrombogenic activities of Secoisolariciresinol.Approved
MometasoneThe serum concentration of Mometasone can be increased when it is combined with Secoisolariciresinol.Approved, Vet Approved
MorniflumateMorniflumate may increase the thrombogenic activities of Secoisolariciresinol.Approved
NabumetoneNabumetone may increase the thrombogenic activities of Secoisolariciresinol.Approved
NadroparinSecoisolariciresinol may decrease the anticoagulant activities of Nadroparin.Approved, Investigational
NafamostatSecoisolariciresinol may decrease the anticoagulant activities of Nafamostat.Approved, Investigational
NCX 1022The serum concentration of NCX 1022 can be increased when it is combined with Secoisolariciresinol.Investigational
NepafenacNepafenac may increase the thrombogenic activities of Secoisolariciresinol.Approved, Investigational
Niflumic AcidNiflumic Acid may increase the thrombogenic activities of Secoisolariciresinol.Approved
Oleoyl-estroneThe serum concentration of Oleoyl-estrone can be increased when it is combined with Secoisolariciresinol.Investigational
OspemifeneThe risk or severity of adverse effects can be increased when Secoisolariciresinol is combined with Ospemifene.Approved, Investigational
OtamixabanSecoisolariciresinol may decrease the anticoagulant activities of Otamixaban.Investigational
OxaprozinOxaprozin may increase the thrombogenic activities of Secoisolariciresinol.Approved
ParamethasoneThe serum concentration of Paramethasone can be increased when it is combined with Secoisolariciresinol.Approved
ParecoxibParecoxib may increase the thrombogenic activities of Secoisolariciresinol.Approved
Pentaerythritol TetranitrateSecoisolariciresinol may decrease the anticoagulant activities of Pentaerythritol Tetranitrate.Approved
Pentosan PolysulfateSecoisolariciresinol may decrease the anticoagulant activities of Pentosan Polysulfate.Approved
PhenindioneSecoisolariciresinol may decrease the anticoagulant activities of Phenindione.Approved, Investigational
PhenprocoumonSecoisolariciresinol may decrease the anticoagulant activities of Phenprocoumon.Approved, Investigational
PhenylbutazonePhenylbutazone may increase the thrombogenic activities of Secoisolariciresinol.Approved, Vet Approved
PiroxicamPiroxicam may increase the thrombogenic activities of Secoisolariciresinol.Approved, Investigational
PomalidomidePomalidomide may increase the thrombogenic activities of Secoisolariciresinol.Approved
Potassium CitrateSecoisolariciresinol may decrease the anticoagulant activities of Potassium Citrate.Approved, Investigational, Vet Approved
PrasteroneThe risk or severity of adverse effects can be increased when Prasterone is combined with Secoisolariciresinol.Approved, Investigational, Nutraceutical
Prasterone sulfateThe serum concentration of Prasterone sulfate can be increased when it is combined with Secoisolariciresinol.Investigational
PrednicarbateThe serum concentration of Prednicarbate can be increased when it is combined with Secoisolariciresinol.Approved, Investigational
PrednisoneThe serum concentration of Prednisone can be increased when it is combined with Secoisolariciresinol.Approved, Vet Approved
PregnenoloneThe serum concentration of Pregnenolone can be increased when it is combined with Secoisolariciresinol.Approved, Experimental, Investigational
Protein CSecoisolariciresinol may decrease the anticoagulant activities of Protein C.Approved
Protein S humanSecoisolariciresinol may decrease the anticoagulant activities of Protein S human.Approved
ProtocatechualdehydeSecoisolariciresinol may decrease the anticoagulant activities of Protocatechualdehyde.Approved
ResveratrolResveratrol may increase the thrombogenic activities of Secoisolariciresinol.Approved, Experimental, Investigational
ReviparinSecoisolariciresinol may decrease the anticoagulant activities of Reviparin.Approved, Investigational
RimexoloneThe serum concentration of Rimexolone can be increased when it is combined with Secoisolariciresinol.Approved
RivaroxabanSecoisolariciresinol may decrease the anticoagulant activities of Rivaroxaban.Approved
RofecoxibRofecoxib may increase the thrombogenic activities of Secoisolariciresinol.Approved, Investigational, Withdrawn
SalsalateSalsalate may increase the thrombogenic activities of Secoisolariciresinol.Approved
SeliciclibSeliciclib may increase the thrombogenic activities of Secoisolariciresinol.Investigational
SomatotropinThe therapeutic efficacy of Somatotropin can be decreased when used in combination with Secoisolariciresinol.Approved, Investigational
SulodexideSecoisolariciresinol may decrease the anticoagulant activities of Sulodexide.Approved, Investigational
SuprofenSuprofen may increase the thrombogenic activities of Secoisolariciresinol.Approved, Withdrawn
TalniflumateTalniflumate may increase the thrombogenic activities of Secoisolariciresinol.Approved
TenoxicamTenoxicam may increase the thrombogenic activities of Secoisolariciresinol.Approved
ThalidomideSecoisolariciresinol may increase the thrombogenic activities of Thalidomide.Approved, Investigational, Withdrawn
TheophyllineThe serum concentration of Theophylline can be increased when it is combined with Secoisolariciresinol.Approved
Thyroid, porcineThe therapeutic efficacy of Thyroid, porcine can be decreased when used in combination with Secoisolariciresinol.Approved
Tiaprofenic acidTiaprofenic acid may increase the thrombogenic activities of Secoisolariciresinol.Approved
TipranavirSecoisolariciresinol may increase the dermatologic adverse activities of Tipranavir.Approved, Investigational
TixocortolThe serum concentration of Tixocortol can be increased when it is combined with Secoisolariciresinol.Approved, Withdrawn
TolmetinTolmetin may increase the thrombogenic activities of Secoisolariciresinol.Approved
TriamcinoloneThe serum concentration of Triamcinolone can be increased when it is combined with Secoisolariciresinol.Approved, Vet Approved
TroxerutinSecoisolariciresinol may decrease the anticoagulant activities of Troxerutin.Investigational
UlobetasolThe serum concentration of Ulobetasol can be increased when it is combined with Secoisolariciresinol.Approved
Ursodeoxycholic acidThe therapeutic efficacy of Ursodeoxycholic acid can be decreased when used in combination with Secoisolariciresinol.Approved, Investigational
ValdecoxibValdecoxib may increase the thrombogenic activities of Secoisolariciresinol.Approved, Investigational, Withdrawn
WarfarinSecoisolariciresinol may decrease the anticoagulant activities of Warfarin.Approved
XimelagatranSecoisolariciresinol may decrease the anticoagulant activities of Ximelagatran.Approved, Investigational, Withdrawn
Food Interactions
Not Available

References

General References
Not Available
External Links
Human Metabolome Database
HMDB0013692
KEGG Compound
C18167
PubChem Compound
65373
PubChem Substance
347828466
ChemSpider
58845
BindingDB
50240914
ChEBI
65004
ChEMBL
CHEMBL368347
Wikipedia
Secoisolariciresinol

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedPreventionCancer, Breast1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.012 mg/mLALOGPS
logP2.05ALOGPS
logP2.33ChemAxon
logS-4.5ALOGPS
pKa (Strongest Acidic)9.96ChemAxon
pKa (Strongest Basic)-2.6ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area99.38 Å2ChemAxon
Rotatable Bond Count9ChemAxon
Refractivity99.29 m3·mol-1ChemAxon
Polarizability38.56 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available
LC-MS/MS Spectrum - LC-ESI-qTof , PositiveLC-MS/MSNot Available
MS/MS Spectrum - , positiveLC-MS/MSsplash10-000i-0931000000-1875abcf0a77c29ef991

Taxonomy

Description
This compound belongs to the class of organic compounds known as dibenzylbutanediol lignans. These are lignan compounds containing a 2,3-dibenzylbutane-1,4-diol moiety.
Kingdom
Organic compounds
Super Class
Lignans, neolignans and related compounds
Class
Dibenzylbutane lignans
Sub Class
Dibenzylbutanediol lignans
Direct Parent
Dibenzylbutanediol lignans
Alternative Parents
Methoxyphenols / Phenoxy compounds / Methoxybenzenes / Anisoles / Alkyl aryl ethers / 1-hydroxy-2-unsubstituted benzenoids / Primary alcohols / Hydrocarbon derivatives
Substituents
Dibenzylbutanediol / Methoxyphenol / Anisole / Phenoxy compound / Phenol ether / Methoxybenzene / Phenol / 1-hydroxy-2-unsubstituted benzenoid / Alkyl aryl ether / Monocyclic benzene moiety
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
secoisolariciresinol (CHEBI:65004) / Lignans (C18167)

Drug created on October 20, 2016 15:33 / Updated on August 02, 2018 06:35