Compound Identification
SMILES
COC1=C(O)C=CC(C2=CC3=C(OC2)C=C(O)C=C3)=C1O
InChIKey
InChIKey=NKZJSYQCTOOYEV-UHFFFAOYSA-N
Formula
C16H14O5
Mass
286.283
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 Isoflav-3-enes Methoxyphenols 1-benzopyrans Resorcinols Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Oxacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3p-methoxyisoflavonoid-skeleton - Hydroxyisoflavonoid - Isoflav-3-ene skeleton - Methoxyphenol - Benzopyran - 1-benzopyran - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Resorcinol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Oxacycle - Organoheterocyclic compound - Ether - Hydrocarbon derivative - Organooxygen compound - 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
LIPIDMAPS (LMPK12080065) : Isoflavans