Compound Identification
SMILES
COC1=CC2=C(C=C1)C(O)(C(C(=O)O2)C1=CC=C(Cl)C=C1)C(F)(F)F
InChIKey
InChIKey=YTASXDXPNRQHCC-UHFFFAOYSA-N
Formula
C17H12ClF3O4
Mass
372.72
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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Class
Isoflavonoids
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Subclass
O-methylated isoflavonoids
- Level 5 7-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
7-O-methylated isoflavonoids
Alternative Parents
3-arylcoumarin flavonoids Hydroxyisoflavonoids Isoflavans 3,4-dihydrocoumarins 1-benzopyrans Anisoles Alkyl aryl ethers Chlorobenzenes Aryl chlorides Tertiary alcohols Lactones Carboxylic acid esters Fluorohydrins Oxacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Alkyl fluorides Organic oxides Organofluorides Hydrocarbon derivatives Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
7-methoxyisoflavonoid-skeleton - Hydroxyisoflavonoid - 3-arylcoumarin flavonoid - Isoflavan - 3,4-dihydrocoumarin - Chromane - Benzopyran - 1-benzopyran - Anisole - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Benzenoid - Aryl halide - Monocyclic benzene moiety - Tertiary alcohol - Lactone - Halohydrin - Fluorohydrin - Carboxylic acid ester - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organochloride - Carbonyl group - Organic oxide - Alcohol - Organohalogen compound - Hydrocarbon derivative - Alkyl halide - Alkyl fluoride - Organic oxygen compound - Organofluoride - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 7-o-methylated isoflavonoids. These are isoflavonoids with methoxy groups attached to the C7 atom of the isoflavonoid backbone. Isoflavonoids are natural products derived from 3-phenylchromen-4-one.
External Descriptors
Not available