Cianidanol

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

Identification

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Name
Cianidanol
Accession Number
DB14086
Type
Small Molecule
Groups
Approved, Withdrawn
Description

An antioxidant flavonoid, occurring especially in woody plants as both (+)-catechin and (-)-epicatechin (cis) forms.

Structure
Thumb
Synonyms
  • (+)-catechin
  • (+)-Catechol
  • (+)-Cyanidan-3-ol
  • (+)-Cyanidanol
  • (2R,3S)-(+)-Catechin
  • (2R,3S)-catechin
  • Catechin
  • Catechuic acid
  • Cianidanol
  • Cianidanolum
  • D-(+)-Catechin
  • d-Catechin
  • D-Catechol
External IDs
KB 53 / KB-53 / Z 7300
Product Ingredients
IngredientUNIICASInChI Key
Cianidanol hydrateNot Available88191-48-4OFUMQWOJBVNKLR-NQQJLSKUSA-N
Over the Counter Products
NameDosageStrengthRouteLabellerMarketing StartMarketing End
Slim 2Powder0.45 g/100gOralBionutrigen Co., Ltd.2011-09-15Not applicableUs
Additional Data Available
  • Application Number
    Application Number

    A unique ID assigned by the FDA when a product is submitted for approval by the labeller.

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  • Product Code
    Product Code

    A governmentally-recognized ID which uniquely identifies the product within its regulatory market.

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Unapproved/Other Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing End
Slim 2Cianidanol (0.45 g/100g)PowderOralBionutrigen Co., Ltd.2011-09-15Not applicableUs
Categories
UNII
8R1V1STN48
CAS number
154-23-4
Weight
Average: 290.2681
Monoisotopic: 290.07903818
Chemical Formula
C15H14O6
InChI Key
PFTAWBLQPZVEMU-DZGCQCFKSA-N
InChI
InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1
IUPAC Name
(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
SMILES
O[C@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC=C(O)C(O)=C1

Pharmacology

Indication
Not Available
Associated Therapies
Pharmacodynamics
Not Available
Mechanism of action
Not Available
Additional Data Available
Adverse Effects

Comprehensive structured data on known drug adverse effects with statistical prevalence. MedDRA and ICD10 ids are provided for adverse effect conditions and symptoms.

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Additional Data Available
Contraindications

Structured data covering drug contraindications. Each contraindication describes a scenario in which the drug is not to be used. Includes restrictions on co-administration, contraindicated populations, and more.

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Additional Data Available
Blackbox Warnings

Structured data representing warnings from the black box section of drug labels. These warnings cover important and dangerous risks, contraindications, or adverse effects.

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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
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
Human Metabolome Database
HMDB0002780
KEGG Compound
C06562
ChemSpider
8711
BindingDB
60836
ChEBI
15600
ChEMBL
CHEMBL311498
HET
KXN
Wikipedia
Catechin
PDB Entries
3i52 / 4c94 / 4c9i

Clinical Trials

Clinical Trials
Not Available

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
FormRouteStrength
PowderOral0.45 g/100g
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.645 mg/mLALOGPS
logP1.02ALOGPS
logP1.8ChemAxon
logS-2.6ALOGPS
pKa (Strongest Acidic)9ChemAxon
pKa (Strongest Basic)-3.3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area110.38 Å2ChemAxon
Rotatable Bond Count1ChemAxon
Refractivity74 m3·mol-1ChemAxon
Polarizability27.89 Å3ChemAxon
Number of Rings3ChemAxon
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
GC-MS Spectrum - GC-EI-TOFGC-MSsplash10-014i-0749000000-e5b0b7512526810c1758
MS/MS Spectrum - Quattro_QQQ 10V, NegativeLC-MS/MSsplash10-000i-0190000000-0b55363090666c3a1f0f
MS/MS Spectrum - Quattro_QQQ 25V, NegativeLC-MS/MSsplash10-0ab9-0900000000-5dfb75ce17e0aea0642b
MS/MS Spectrum - Quattro_QQQ 40V, NegativeLC-MS/MSsplash10-003r-9000000000-ae956114187e6320ae3a
LC-MS/MS Spectrum - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) , PositiveLC-MS/MSsplash10-0079-0900000000-dd93ef481c2fea84d4a2
LC-MS/MS Spectrum - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) , NegativeLC-MS/MSsplash10-052r-0980000000-97f9a54412368150d277
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
MS/MS Spectrum - ESI-TOF 10V, NegativeLC-MS/MSNot Available
MS/MS Spectrum - ESI-TOF 20V, NegativeLC-MS/MSNot Available
MS/MS Spectrum - ESI-TOF , NegativeLC-MS/MSNot Available
MS/MS Spectrum - ESI-TOF 26V, NegativeLC-MS/MSNot Available
MS/MS Spectrum - ESI-TOF 10V, NegativeLC-MS/MSNot Available
MS/MS Spectrum - ESI-TOF 20V, NegativeLC-MS/MSNot Available
MS/MS Spectrum - ESI-TOF , NegativeLC-MS/MSNot Available
MS/MS Spectrum - ESI-TOF 26V, NegativeLC-MS/MSNot Available
MS/MS Spectrum - DI-ESI-qTof , PositiveLC-MS/MSNot Available
MS/MS Spectrum - DI-ESI-qTof , PositiveLC-MS/MSNot Available
MS/MS Spectrum - DI-ESI-qTof , NegativeLC-MS/MSNot Available
LC-MS/MS Spectrum - LC-ESI-QTOF , negativeLC-MS/MSsplash10-000i-0090000000-466d29d8274d012f2ea3
LC-MS/MS Spectrum - LC-ESI-QTOF , negativeLC-MS/MSsplash10-0pds-0970000000-2631ce85b21e59412694
LC-MS/MS Spectrum - LC-ESI-QTOF , negativeLC-MS/MSsplash10-05fr-1900000000-3424d3d2af180d7eabd3
LC-MS/MS Spectrum - LC-ESI-QTOF , negativeLC-MS/MSsplash10-0ab9-2900000000-cdc087827d67b78d4ac2
LC-MS/MS Spectrum - LC-ESI-QTOF , negativeLC-MS/MSsplash10-052r-0980000000-97f9a54412368150d277
MS/MS Spectrum - Linear Ion Trap , negativeLC-MS/MSsplash10-0002-0190000000-1dbda61edd66117390d0
MS/MS Spectrum - Linear Ion Trap , negativeLC-MS/MSsplash10-0002-0190000000-5e90ea17b7f97a7984cd
LC-MS/MS Spectrum - LC-ESI-QTOF , positiveLC-MS/MSsplash10-0076-0950000000-f57ee00fad87339acfd6
LC-MS/MS Spectrum - LC-ESI-QTOF , positiveLC-MS/MSsplash10-0079-0900000000-37f1c08aaabb0a3657a3
LC-MS/MS Spectrum - LC-ESI-QTOF , positiveLC-MS/MSsplash10-00dr-0900000000-53e2826e052ad8d7e162
LC-MS/MS Spectrum - LC-ESI-QTOF , positiveLC-MS/MSsplash10-00di-3900000000-c715b3c6b38903a4dcd3
LC-MS/MS Spectrum - LC-ESI-QTOF , positiveLC-MS/MSsplash10-0079-0900000000-dd93ef481c2fea84d4a2
MS/MS Spectrum - Linear Ion Trap , positiveLC-MS/MSsplash10-03di-0090000000-d8852ad78a6399d2efc7
MS/MS Spectrum - Linear Ion Trap , positiveLC-MS/MSsplash10-03di-0090000000-62f0bbeff415fc473d29
MS/MS Spectrum - Linear Ion Trap , positiveLC-MS/MSsplash10-03di-0090000000-effae99d4c3994471ae7
MS/MS Spectrum - Linear Ion Trap , positiveLC-MS/MSsplash10-00dr-0900000000-2311e3cc58e319675163
MS/MS Spectrum - Linear Ion Trap , positiveLC-MS/MSsplash10-00dr-0910000000-3c7e19287b0a40083e3d
MS/MS Spectrum - , positiveLC-MS/MSsplash10-000i-0910000011-dc7900f6d72f6b3cc454
MS/MS Spectrum - , positiveLC-MS/MSsplash10-0079-0900000000-d3dfcb22397df46f6995
1H NMR Spectrum1D NMRNot Applicable
[1H,13C] 2D NMR Spectrum2D NMRNot Applicable

Taxonomy

Classification
Not classified

Drug created on June 17, 2018 16:28 / Updated on May 01, 2019 13:32