Basic information
- CAS
83920-62-1- Standard SMILES
COc1ccc(C2COc3cc(O)cc(O)c3C2=O)cc1- InChIKey
XPZQBSCTDLGDBP-UHFFFAOYSA-N- Molecular formula
- C16H14O5
- Average molar mass
- 286.28 g/mol
- Monoisotopic mass
- 286.08412354
Overview
2,3-dihydrobiochanin A is a hydroxyisoflavanone that is the 2,3-dihydro derivative of biochanin A. It has a role as a metabolite and an antifungal agent. It is a hydroxyisoflavanone and a methoxyisoflavanone. It is functionally related to a biochanin A. It is a conjugate acid of a 2,3-dihydrobiochanin A(1-).
Names & identifiers
- Preferred name
- Dihydrobiochanin A
- IUPAC
- 5,7-dihydroxy-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
- English name
- 2,3-dihydrobiochanin A
- Molecular formula
- C16H14O5
- Molecular weight
- 286.28
Names & synonyms
Dihydrobiochanin A83920-62-12,3-Dihydrobiochanin A5,7-dihydroxy-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-oneCHEBI:15712DTXSID00331442RefChem:133735DTXCID50282536Dihydrogenistein 4'-methyl ether5,7-dihydroxy-3-(4-methoxyphenyl)chroman-4-oneorb2943114CHEMBL2230142
Show more names
4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-3-(4-methoxyphenyl)-
SCHEMBL30217535LMPK12050475TN8941FD65356HY-169812C02675Q270982015,7-dihydroxy-3-(4-methoxyphenyl)-2,3-dihydro-4H-chromen-4-one
Database identifiers
- CAS
83920-62-1- PubChem CID
- 439784
- DTXSID
DTXSID00331442- ChEMBL
CHEMBL2230142- ChEBI
CHEBI:15712- Nikkaji
- J303.867J
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 377
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Isoflavonoids [PK1205]
Physicochemical properties
- Melting point
- 173 · 173-174 °C(Solv: ethanol (64-17-5))
- Boiling point
- 539.6 · 539.6±50.0 °C(Predicted)
- Density
- 1.37 · 1.370±0.06 g/cm3(Predicted)
- pka
- 7.51 · 7.51±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesDihydrobiochanin A has antifungal activity. Dihydrobiochanin A is a flavonoid that can isolated from Swartzia polyphylla[1].
Suppliers5 total
韶关市启程生物科技有限公司18122215013 · [email protected]
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
安徽今昱生物化工产品技术研发有限公司055167162561 13295518198 · [email protected]
上海甄准生物科技有限公司18019219489 18901678489 · [email protected]
Additional notes
DefinitionChEBI: 2,3-dihydrobiochanin A is a hydroxyisoflavanone that is the 2,3-dihydro derivative of biochanin A. It has a role as an antifungal agent and a metabolite. It is a hydroxyisoflavanone and a methoxyisoflavanone. It is functionally related to a biochanin A. It is a conjugate acid of a 2,3-dihydrobiochanin A(1-).
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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