This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Explore a selection of our essential drug information below, or:
Identification
- Generic Name
- Ipriflavone
- DrugBank Accession Number
- DB13618
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Ipriflavone (DB13618)
- Weight
- Average: 280.3178
Monoisotopic: 280.109944378 - Chemical Formula
- C18H16O3
- Synonyms
- ipriflavona
- Ipriflavone
Pharmacology
- Indication
Not Available
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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. View sample adverse effects data in our new Data Library!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.Not Available
- Food Interactions
- Not Available
Products
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Categories
- ATC Codes
- M05BX01 — Ipriflavone
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as isoflavones. These are polycyclic compounds containing a 2-isoflavene skeleton which bears a ketone group at the C4 carbon atom.
- Kingdom
- Organic compounds
- Super Class
- Phenylpropanoids and polyketides
- Class
- Isoflavonoids
- Sub Class
- Isoflav-2-enes
- Direct Parent
- Isoflavones
- Alternative Parents
- Chromones / Pyranones and derivatives / Alkyl aryl ethers / Benzene and substituted derivatives / Heteroaromatic compounds / Oxacyclic compounds / Organic oxides / Hydrocarbon derivatives
- Substituents
- 1-benzopyran / Alkyl aryl ether / Aromatic heteropolycyclic compound / Benzenoid / Benzopyran / Chromone / Ether / Heteroaromatic compound / Hydrocarbon derivative / Isoflavone
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- aromatic ether, isoflavones (CHEBI:31719)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 80BJ7WN25Z
- CAS number
- 35212-22-7
- InChI Key
- SFBODOKJTYAUCM-UHFFFAOYSA-N
- InChI
- InChI=1S/C18H16O3/c1-12(2)21-14-8-9-15-17(10-14)20-11-16(18(15)19)13-6-4-3-5-7-13/h3-12H,1-2H3
- IUPAC Name
- 3-phenyl-7-(propan-2-yloxy)-4H-chromen-4-one
- SMILES
- CC(C)OC1=CC2=C(C=C1)C(=O)C(=CO2)C1=CC=CC=C1
References
- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0032987
- ChemSpider
- 3616
- BindingDB
- 43662
- 51487
- ChEBI
- 31719
- ChEMBL
- CHEMBL165790
- ZINC
- ZINC000000004016
- Wikipedia
- Ipriflavone
Clinical Trials
- Clinical Trials
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Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Tablet Oral Capsule Tablet Oral 200 mg - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.0044 mg/mL ALOGPS logP 4.39 ALOGPS logP 3.95 Chemaxon logS -4.8 ALOGPS pKa (Strongest Basic) -4.7 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 35.53 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 81.37 m3·mol-1 Chemaxon Polarizability 30.91 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 180.0156415 predictedDarkChem Lite v0.1.0 [M-H]- 178.7768415 predictedDarkChem Lite v0.1.0 [M-H]- 167.06956 predictedDeepCCS 1.0 (2019) [M+H]+ 181.4179415 predictedDarkChem Lite v0.1.0 [M+H]+ 180.6062415 predictedDarkChem Lite v0.1.0 [M+H]+ 169.4276 predictedDeepCCS 1.0 (2019) [M+Na]+ 180.3450415 predictedDarkChem Lite v0.1.0 [M+Na]+ 179.7008415 predictedDarkChem Lite v0.1.0 [M+Na]+ 175.52074 predictedDeepCCS 1.0 (2019)
Drug created at June 23, 2017 20:45 / Updated at February 21, 2021 18:54