Basic information
- CAS
5908-63-4- Standard SMILES
O=c1c(-c2cc(O)c(O)c(O)c2)coc2cc(O)ccc12- InChIKey
YFVNYAXYZNDLIY-UHFFFAOYSA-N- Molecular formula
- C15H10O6
- Average molar mass
- 286.24 g/mol
- Monoisotopic mass
- 286.04773803
Overview
Baptigenin is a member of isoflavones.
Names & identifiers
- Preferred name
- Baptigenin
- IUPAC
- 7-hydroxy-3-(3,4,5-trihydroxyphenyl)chromen-4-one
- English name
- Baptigenin
- Molecular formula
- C15H10O6
- Molecular weight
- 286.2363
Names & synonyms
BaptigeninBaptigenin [MI]TetrahydroxyisoflavoneUNII-NR2UM1NX6NNR2UM1NX6N5908-63-47-Hydroxy-3-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one4H-1-Benzopyran-4-one, 7-hydroxy-3-(3,4,5-trihydroxyphenyl)-7-hydroxy-3-(3,4,5-trihydroxyphenyl)chromen-4-oneRefChem:1164547,3',4',5'-tetrahydroxyisoflavoneSCHEMBL555129
Show more names
SCHEMBL29929481CHEBI:229872DTXSID9013183827,3',4',5'-TetrahydroxyisoflavonLMPK12050062AKOS005166874Q27285005
Database identifiers
- CAS
5908-63-4- PubChem CID
- 9965663
- DTXSID
DTXSID901318382- ChEBI
CHEBI:229872- UNII
- NR2UM1NX6N
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 435
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Isoflavonoids [PK1205]
Physicochemical properties
- Melting point
- 284 · 284-285°
- FDA UNII
- 2 UM1NX6N · NR2UM1NX6N
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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