Compound Identification
SMILES
CCC1=C(OCC([O-])=O)C=C2OC(C)=C(C(=O)C2=C1)C1=CC2=C(OCCO2)C=C1
InChIKey
InChIKey=CKDRSRIVEGWMFI-UHFFFAOYSA-M
Formula
C22H19O7
Mass
395.388
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 Benzo-1,4-dioxanes Pyranones and derivatives Alkyl aryl ethers Para dioxins Heteroaromatic compounds Carboxylic acid salts Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflavone - Chromone - Phenoxyacetate - Benzo-1,4-dioxane - Benzodioxane - Benzopyran - 1-benzopyran - Alkyl aryl ether - Pyranone - Benzenoid - Pyran - Para-dioxin - Heteroaromatic compound - Carboxylic acid salt - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Ether - Organoheterocyclic compound - Carboxylic acid - Oxacycle - Organic oxygen compound - Organic oxide - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic anion - 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