NAV

Acteoside

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

Identification

Generic Name
Acteoside
DrugBank Accession Number
DB12996
Background

Acteoside is under investigation in clinical trial NCT02662283 (Validity and Security of Reh-acteoside Therapy for Patients of IgA Nephropathy).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 624.5871
Monoisotopic: 624.205420482
Chemical Formula
C29H36O15
Synonyms
Not Available
External IDs
  • TJC-160
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
DrugInteraction
Integrate drug-drug
interactions in your software
AbataceptThe risk or severity of adverse effects can be increased when Abatacept is combined with Acteoside.
AdalimumabThe risk or severity of adverse effects can be increased when Adalimumab is combined with Acteoside.
Adenovirus type 7 vaccine liveThe risk or severity of infection can be increased when Adenovirus type 7 vaccine live is combined with Acteoside.
AldesleukinThe risk or severity of adverse effects can be increased when Aldesleukin is combined with Acteoside.
AlefaceptThe risk or severity of adverse effects can be increased when Alefacept is combined with Acteoside.
Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as coumaric acids and derivatives. These are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring.
Kingdom
Organic compounds
Super Class
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Sub Class
Hydroxycinnamic acids and derivatives
Direct Parent
Coumaric acids and derivatives
Alternative Parents
Cinnamic acid esters / O-glycosyl compounds / Disaccharides / Tyrosols and derivatives / Styrenes / Catechols / 1-hydroxy-2-unsubstituted benzenoids / 1-hydroxy-4-unsubstituted benzenoids / Fatty acid esters / Oxanes
show 10 more
Substituents
1-hydroxy-2-unsubstituted benzenoid / 1-hydroxy-4-unsubstituted benzenoid / Acetal / Alcohol / Alpha,beta-unsaturated carboxylic ester / Aromatic heteromonocyclic compound / Benzenoid / Carbonyl group / Carboxylic acid derivative / Carboxylic acid ester
show 24 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
hydroxycinnamic acid (CHEBI:9953)
Affected organisms
Not Available

Chemical Identifiers

UNII
3TGX09BD5B
CAS number
61276-17-3
InChI Key
FBSKJMQYURKNSU-ZLSOWSIRSA-N
InChI
InChI=1S/C29H36O15/c1-13-22(36)23(37)24(38)29(41-13)44-27-25(39)28(40-9-8-15-3-6-17(32)19(34)11-15)42-20(12-30)26(27)43-21(35)7-4-14-2-5-16(31)18(33)10-14/h2-7,10-11,13,20,22-34,36-39H,8-9,12H2,1H3/b7-4+/t13-,20+,22-,23+,24+,25+,26+,27+,28+,29-/m0/s1
IUPAC Name
(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
SMILES
C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCC3=CC(O)=C(O)C=C3)O[C@H](CO)[C@H]2OC(=O)\C=C\C2=CC(O)=C(O)C=C2)[C@H](O)[C@H](O)[C@H]1O

References

General References
Not Available
KEGG Compound
C10501
PubChem Compound
5281800
PubChem Substance
347829133
ChemSpider
4445112
BindingDB
50241867
ChEBI
132853
ChEMBL
CHEMBL444478
ZINC
ZINC000008234351
Wikipedia
Verbascoside

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2, 3Unknown StatusTreatmentImmunoglobulin A Nephropathy1

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 Solubility0.966 mg/mLALOGPS
logP1.09ALOGPS
logP0.82Chemaxon
logS-2.8ALOGPS
pKa (Strongest Acidic)9.01Chemaxon
pKa (Strongest Basic)-3.6Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count14Chemaxon
Hydrogen Donor Count9Chemaxon
Polar Surface Area245.29 Å2Chemaxon
Rotatable Bond Count11Chemaxon
Refractivity148.4 m3·mol-1Chemaxon
Polarizability60.77 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-004i-0202619000-426da09ba46a73798a11
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-0400629000-0e2cf92ed1f3765a55b8
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-03fs-0910446000-cf39e7c8b866ba3a49d7
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-059j-0916744000-435834bca0ef9564ef10
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-01dj-1901032000-f77c139c90d11ec4b5f5
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-0921220000-32275f904e3f794ce266
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-244.8259435
predicted
DarkChem Lite v0.1.0
[M-H]-235.29857
predicted
DeepCCS 1.0 (2019)
[M+H]+247.6949435
predicted
DarkChem Lite v0.1.0
[M+H]+237.3065
predicted
DeepCCS 1.0 (2019)
[M+Na]+245.7169435
predicted
DarkChem Lite v0.1.0
[M+Na]+243.30519
predicted
DeepCCS 1.0 (2019)

Drug created at October 21, 2016 01:53 / Updated at June 12, 2020 16:53