Compound Identification
SMILES
CCOC(=O)C1=COC2=C1C=C(C=C2)C1=C(C)OC2=C(C=CC(OC(C)C(=O)OC)=C2)C1=O
InChIKey
InChIKey=LHAWQQAABHGHHG-UHFFFAOYSA-N
Formula
C25H22O8
Mass
450.443
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
Phenoxyacetic acid derivatives Chromones Furoic acid esters Benzofurans Phenol ethers Furan-3-carboxylic acid esters Pyranones and derivatives Alkyl aryl ethers Methyl esters Heteroaromatic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflavone - Chromone - Phenoxyacetate - Benzopyran - 1-benzopyran - Furoic acid ester - Benzofuran - Furoic acid or derivatives - Furan-3-carboxylic acid ester - Furan-3-carboxylic acid or derivatives - Phenol ether - Alkyl aryl ether - Pyranone - Pyran - Benzenoid - Methyl ester - Heteroaromatic compound - Furan - Carboxylic acid ester - Organoheterocyclic compound - Oxacycle - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - 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