Compound Identification
SMILES
COC(=O)C(CC1=CC=CC=C1)N1COC2=C(C1)C1=C(C=C2)C(=O)C(=CO1)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=FHCRQODMHWRHAH-UHFFFAOYSA-N
Formula
C27H22ClNO5
Mass
475.93
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
Phenylalanine and derivatives Alpha amino acid esters Chromones Amphetamines and derivatives Benzoxazines Pyranones and derivatives Chlorobenzenes Fatty acid esters Aryl chlorides Methyl esters Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Amines Organic oxides Organochlorides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylalanine or derivatives - Isoflavone - Alpha-amino acid ester - Chromone - Alpha-amino acid or derivatives - Amphetamine or derivatives - Benzoxazine - 1-benzopyran - Benzopyran - Chlorobenzene - Fatty acid ester - Halobenzene - Pyranone - Pyran - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Fatty acyl - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonyl group - Organooxygen compound - Amine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organochloride - Organohalogen 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