Compound Identification
SMILES
COC1=C(O)C(OC)=C(C=C1)C1=CC2=CC(O)=C(O)C=C2OC1
InChIKey
InChIKey=SSQZVXWYVVNXKO-UHFFFAOYSA-N
Formula
C17H16O6
Mass
316.309
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Isoflavonoids
-
Subclass
O-methylated isoflavonoids
- Level 5 4'-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
4'-O-methylated isoflavonoids
Direct Parent
3'-hydroxy,4'-methoxyisoflavonoids
Alternative Parents
2'-O-methylated isoflavonoids Hydroxyisoflavonoids Isoflav-3-enes Methoxyphenols Dimethoxybenzenes 1-benzopyrans Phenoxy compounds Anisoles Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Oxacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3'-hydroxy,4'-methoxyisoflavonoid - 2p-methoxyisoflavonoid-skeleton - Hydroxyisoflavonoid - Isoflav-3-ene skeleton - Methoxyphenol - Benzopyran - M-dimethoxybenzene - Dimethoxybenzene - 1-benzopyran - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - 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'-hydroxy,4'-methoxyisoflavonoids. These are isoflavonoids carrying a methoxy group attached to the C4' atom, as well as a hydroxyl group at the C3'-position of the isoflavonoid backbone.
External Descriptors
LIPIDMAPS (LMPK12080068) : Isoflavans