Compound Identification
SMILES
COC(=O)C(C)NC(=O)COC1=CC2=C(C=C1)C(=O)C(=CO2)C1=CC=CC=C1
InChIKey
InChIKey=PUQRIBKJBZOSOK-UHFFFAOYSA-N
Formula
C21H19NO6
Mass
381.384
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Isoflavonoids
-
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
Alpha amino acid esters N-acyl-alpha amino acids and derivatives Alanine and derivatives Chromones Pyranones and derivatives Alkyl aryl ethers Benzene and substituted derivatives Methyl esters Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflavone - Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Alanine or derivatives - Chromone - Alpha-amino acid or derivatives - Benzopyran - 1-benzopyran - Alkyl aryl ether - Pyranone - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Secondary carboxylic acid amide - Carboxamide group - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxide - 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