Compound Identification
SMILES
OC[C@H]1O[C@H](OC(=O)CC(=O)OC2=CC3=C(C=C2)C(=O)C(=CO3)C2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O
InChIKey
InChIKey=CAGQTSQIFMPNLH-ASDZUOGYSA-N
Formula
C24H22O12
Mass
502.428
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
-
Class
Isoflavonoids
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Subclass
Isoflav-2-enes
- Level 5 Isoflavones
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Subclass
Isoflav-2-enes
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Class
Isoflavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Isoflavonoids
Subclass
Isoflav-2-enes
Intermediate Tree Nodes
Not available
Direct Parent
Isoflavones
Alternative Parents
Hexoses Chromones 1-hydroxy-2-unsubstituted benzenoids Pyranones and derivatives 1,3-dicarbonyl compounds Benzene and substituted derivatives Dicarboxylic acids and derivatives Oxanes Heteroaromatic compounds Carboxylic acid esters Secondary alcohols Polyols Acetals Oxacyclic compounds Primary alcohols Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflavone - Hexose monosaccharide - Chromone - Benzopyran - 1-benzopyran - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyranone - 1,3-dicarbonyl compound - Pyran - Benzenoid - Oxane - Monocyclic benzene moiety - Monosaccharide - Dicarboxylic acid or derivatives - Heteroaromatic compound - Secondary alcohol - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Polyol - Acetal - Carboxylic acid derivative - Primary alcohol - Organic oxygen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aromatic heteropolycyclic compound
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.
External Descriptors
Not available