Compound Identification
SMILES
COC1=CC=CC2=C1OC[C@@](C)(C2=O)C1=CC=CC=C1
InChIKey
InChIKey=FKLXHUUMVPJGPT-QGZVFWFLSA-N
Formula
C17H16O3
Mass
268.312
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Isoflavonoids
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Subclass
O-methylated isoflavonoids
- Level 5 8-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
8-O-methylated isoflavonoids
Alternative Parents
Isoflavanones Chromones Aryl alkyl ketones Anisoles Alkyl aryl ethers Benzene and substituted derivatives Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
8-methoxyisoflavonoid-skeleton - Isoflavanone - Isoflavan - Chromone - Chromane - Benzopyran - 1-benzopyran - Anisole - Aryl alkyl ketone - Phenol ether - Aryl ketone - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Ketone - Organoheterocyclic compound - Ether - Oxacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 8-o-methylated isoflavonoids. These are isoflavonoids with methoxy groups attached to the C8 atom of the isoflavonoid backbone. Isoflavonoids are natural products derived from 3-phenylchromen-4-one.
External Descriptors
Not available