Compound Identification
SMILES
COC1=C(OC)C2=C(CC(CO2)C2=CC=CC(=C2)C(O)=O)C=C1
InChIKey
InChIKey=LIUFXNLROCBXDX-UHFFFAOYSA-N
Formula
C18H18O5
Mass
314.337
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Isoflavonoids
-
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
7-O-methylated isoflavonoids Isoflavans 1-benzopyrans Benzoic acids Benzoyl derivatives Anisoles Alkyl aryl ethers Oxacyclic compounds Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
7-methoxyisoflavonoid-skeleton - 8-methoxyisoflavonoid-skeleton - Isoflavan - 1-benzopyran - Chromane - Benzopyran - Benzoic acid or derivatives - Benzoic acid - Anisole - Phenol ether - Benzoyl - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Ether - Organoheterocyclic compound - Oxacycle - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - 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