Lupinisoflavone B
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Basic information
- Standard SMILES
CC(C)(O)C1Cc2c(cc3occ(-c4ccc(O)cc4O)c(=O)c3c2O)O1- InChIKey
MPYLJLHMKWTFTC-UHFFFAOYSA-N- Molecular formula
- C20H18O7
- Average molar mass
- 370.4 g/mol
Overview
lupinisoflavone B has been reported in Lupinus albus with data available.
Names & identifiers
- Preferred name
- Lupinisoflavone B
- IUPAC
- 6-(2,4-dihydroxyphenyl)-4-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-5-one
Names & synonyms
Lupinisoflavone B6-(2,4-dihydroxyphenyl)-4-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-5-one6-(2,4-dihydroxyphenyl)-4-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro(3,2-g)chromen-5-oneRefChem:15434291681-64-0RL-1SCHEMBL29353703LMPK12050279(2R)-6-(2,4-Dihydroxyphenyl)-2,3-dihydro-4-hydroxy-2-(1-hydroxy-1-methylethyl)-5H-fur[3,2-g][1]benzopyran-5-one2,3-Dihydro-4-hydroxy-2-(1-hydroxy-1-methylethyl)-6-(2,4-dihydroxyphenyl)-5H-furo[3,2-g][1]benzopyran-5-one6-(2,4-Dihydroxyphenyl)-4-hydroxy-2-(1-hydroxy-1-methylethyl)-2,3-dihydro-5H-furo[3,2-g]chromen-5-one #
Database identifiers
- PubChem CID
- 632835
- Nikkaji
- J397.888E
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 630
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Isoflavonoids [PK1205]
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Related reactions
1 records
Compound notes
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