Compound Identification
SMILES
COC1(COC2=C(C=CC=C2C)C1O)C1=CC=CC=C1
InChIKey
InChIKey=ITANRAUABMHUGT-UHFFFAOYSA-N
Formula
C17H18O3
Mass
270.328
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Isoflavonoids
-
Subclass
O-methylated isoflavonoids
- Level 5 3-O-methylated isoflavonoids
-
Subclass
O-methylated isoflavonoids
-
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
3-O-methylated isoflavonoids
Alternative Parents
Hydroxyisoflavonoids Isoflavans 1-benzopyrans Benzylethers Alkyl aryl ethers Secondary alcohols Oxacyclic compounds Dialkyl ethers Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-methoxyisoflavonoid-skeleton - Hydroxyisoflavonoid - Isoflavan - Chromane - Benzopyran - 1-benzopyran - Benzylether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Secondary alcohol - Ether - Dialkyl ether - Organoheterocyclic compound - Oxacycle - Organooxygen compound - Hydrocarbon derivative - Alcohol - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 3-o-methylated isoflavonoids. These are isoflavonoids with methoxy groups attached to the C3 atom of the isoflavonoid backbone. Isoflavonoids are natural products derived from 3-phenylchromen-4-one.
External Descriptors
Not available