Compound Identification
SMILES
COC1=CC=C(C=C1)C1C(=O)OC2=C(C=CC(O)=C2)C1(O)C(F)(F)F
InChIKey
InChIKey=FKRYTHOLFQFQBJ-UHFFFAOYSA-N
Formula
C17H13F3O5
Mass
354.281
Taxonomic Classification
Taxonomy Tree
-
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 4'-O-methylated isoflavonoids
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Subclass
O-methylated isoflavonoids
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Class
Isoflavonoids
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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
Hydroxyisoflavonoids 3-arylcoumarin flavonoids Isoflavans 3,4-dihydrocoumarins 1-benzopyrans Phenoxy compounds Methoxybenzenes Anisoles 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Tertiary alcohols Lactones Fluorohydrins Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Alkyl fluorides Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4p-methoxyisoflavonoid - Hydroxyisoflavonoid - 3-arylcoumarin flavonoid - Isoflavan - 3,4-dihydrocoumarin - Chromane - Benzopyran - 1-benzopyran - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Monocyclic benzene moiety - Benzenoid - Tertiary alcohol - Lactone - Halohydrin - Fluorohydrin - Carboxylic acid ester - Oxacycle - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Organohalogen compound - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Alcohol - Organofluoride - 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