Compound Identification
SMILES
COC1C2=C(OC(=O)C1(Cl)C1=CC=CC=C1)C=CC(C)=C2
InChIKey
InChIKey=YOLKNUSEQNDYIB-UHFFFAOYSA-N
Formula
C17H15ClO3
Mass
302.75
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Isoflavonoids
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Subclass
O-methylated isoflavonoids
- Level 5 4-O-methylated isoflavonoids
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Subclass
O-methylated isoflavonoids
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Class
Isoflavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Isoflavonoids
Subclass
O-methylated isoflavonoids
Intermediate Tree Nodes
Not available
Direct Parent
4-O-methylated isoflavonoids
Alternative Parents
3-arylcoumarin flavonoids Isoflavans 3,4-dihydrocoumarins 1-benzopyrans Benzene and substituted derivatives Lactones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-methoxyisoflavonoid-skeleton - 3-arylcoumarin flavonoid - Isoflavan - 3,4-dihydrocoumarin - Chromane - 1-benzopyran - Benzopyran - Monocyclic benzene moiety - Benzenoid - Carboxylic acid ester - Lactone - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Alkyl chloride - Carbonyl group - Organic oxide - Organic oxygen compound - Organooxygen compound - Alkyl halide - Organochloride - Organohalogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 4-o-methylated isoflavonoids. These are isoflavonoids with methoxy groups attached to the C4 atom of the isoflavonoid backbone. Isoflavonoids are natural products derived from 3-phenylchromen-4-one.
External Descriptors
Not available