This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Puerarin
- DrugBank Accession Number
- DB12290
- Background
Puerarin has been investigated for the treatment of Alcohol Abuse.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Puerarin (DB12290)
- Weight
- Average: 416.3781
Monoisotopic: 416.110732238 - Chemical Formula
- C21H20O9
- Synonyms
- Not Available
- External IDs
- NPI 031G
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.- 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
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates.Improve decision support & research outcomes with our structured adverse effects data.- 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.
Drug Interaction Integrate drug-drug
interactions in your softwareIsosorbide mononitrate Puerarin may increase the vasodilatory activities of Isosorbide mononitrate. Patent Blue The therapeutic efficacy of Puerarin can be decreased when used in combination with Patent Blue. 
Identify potential medication risksEasily compare up to 40 drugs with our drug interaction checker.Get severity rating, description, and management advice.Learn more - Food Interactions
- Not Available
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as isoflavonoid c-glycosides. These are c-glycosylated derivatives of isoflavonoids, which are natural products derived from 3-phenylchromen-4-one.
- Kingdom
- Organic compounds
- Super Class
- Phenylpropanoids and polyketides
- Class
- Isoflavonoids
- Sub Class
- Isoflavonoid C-glycosides
- Direct Parent
- Isoflavonoid C-glycosides
- Alternative Parents
- Hydroxyisoflavonoids / Isoflavones / Phenolic glycosides / Hexoses / Chromones / C-glycosyl compounds / 1-hydroxy-2-unsubstituted benzenoids / Pyranones and derivatives / Oxanes / Benzene and substituted derivatives show 8 more
- Substituents
- 1-benzopyran / 1-hydroxy-2-unsubstituted benzenoid / Alcohol / Aromatic heteropolycyclic compound / Benzenoid / Benzopyran / C-glycosyl compound / Chromone / Dialkyl ether / Ether show 23 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- C-glycosyl compound, hydroxyisoflavone (CHEBI:8633) / isoflavones, Isoflavonoids (C10524)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- Z9W8997416
- CAS number
- 3681-99-0
- InChI Key
- HKEAFJYKMMKDOR-VPRICQMDSA-N
- InChI
- InChI=1S/C21H20O9/c22-7-14-17(26)18(27)19(28)21(30-14)15-13(24)6-5-11-16(25)12(8-29-20(11)15)9-1-3-10(23)4-2-9/h1-6,8,14,17-19,21-24,26-28H,7H2/t14-,17-,18+,19-,21+/m1/s1
- IUPAC Name
- 7-hydroxy-3-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-one
- SMILES
- OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C1=C(O)C=CC2=C1OC=C(C2=O)C1=CC=C(O)C=C1
References
- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0240265
- KEGG Compound
- C10524
- PubChem Compound
- 5281807
- PubChem Substance
- 347828558
- ChemSpider
- 4445119
- BindingDB
- 50129558
- ChEBI
- 8633
- ChEMBL
- CHEMBL486386
- ZINC
- ZINC000004098745
- Wikipedia
- Puerarin
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Prevention Cardiovascular Risk 1 2 Completed Supportive Care Rheumatoid Arthritis 1 2 Completed Treatment Alcohol Abuse 1 2 Unknown Status Treatment Alveolar Cleft Grafting 1 Not Available Unknown Status Treatment Rheumatoid Arthritis 2
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
Property Value Source Water Solubility 1.08 mg/mL ALOGPS logP 0.48 ALOGPS logP -0.027 Chemaxon logS -2.6 ALOGPS pKa (Strongest Acidic) 6.03 Chemaxon pKa (Strongest Basic) -3 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 9 Chemaxon Hydrogen Donor Count 6 Chemaxon Polar Surface Area 156.91 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 102.82 m3·mol-1 Chemaxon Polarizability 41.19 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Drug created at October 20, 2016 21:50 / Updated at June 12, 2020 16:53