Compound Identification
SMILES
C[C@H](NC(=O)OCC1=CC=CC=C1)C(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=JCIZBDXGBYAYFI-INIZCTEOSA-N
Formula
C26H20ClNO6
Mass
477.9
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
Alpha amino acid esters Alanine and derivatives Chromones Phenol esters Benzyloxycarbonyls Pyranones and derivatives Chlorobenzenes Aryl chlorides Carbamate esters Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Oxacyclic compounds Carbonyl compounds Organic oxides Organochlorides Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflavone - Alpha-amino acid ester - Alanine or derivatives - Chromone - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Benzopyran - Phenol ester - 1-benzopyran - Chlorobenzene - Halobenzene - Pyranone - Pyran - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Heteroaromatic compound - Carbamic acid ester - Carboxylic acid ester - Organoheterocyclic compound - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - 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