Compound Identification
SMILES
CC(C)C([NH3+])C(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)C1=CC2=C(OCCO2)C=C1
InChIKey
InChIKey=LUHKJMLOEDACJL-UHFFFAOYSA-O
Formula
C22H22NO6
Mass
396.418
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
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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
Valine and derivatives Alpha amino acid esters Chromones Phenol esters Benzo-1,4-dioxanes Pyranones and derivatives Alkyl aryl ethers Fatty acid esters Para dioxins Quaternary ammonium salts Heteroaromatic compounds Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Carbonyl compounds Monoalkylamines Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflavone - Alpha-amino acid ester - Valine or derivatives - Chromone - Benzopyran - Phenol ester - Benzodioxane - 1-benzopyran - Benzo-1,4-dioxane - Alpha-amino acid or derivatives - Alkyl aryl ether - Pyranone - Fatty acid ester - Para-dioxin - Pyran - Benzenoid - Fatty acyl - Quaternary ammonium salt - Heteroaromatic compound - Carboxylic acid ester - Amino acid or derivatives - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Oxacycle - Organic nitrogen compound - Organic oxygen compound - Primary aliphatic amine - Organonitrogen compound - Carbonyl group - Organooxygen compound - Primary amine - Hydrocarbon derivative - Amine - Organic oxide - Organic cation - 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