Compound Identification
SMILES
COC1=CC2=C(OCO2)C=C1C1COC2=C(C1)C=CC(O)=C2
InChIKey
InChIKey=PYIXHKGTJKCVBJ-UHFFFAOYSA-N
Formula
C17H16O5
Mass
300.31
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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Class
Isoflavonoids
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Subclass
O-methylated isoflavonoids
- Level 5 2'-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
2'-O-methylated isoflavonoids
Alternative Parents
Isoflavanols Hydroxyisoflavonoids 1-benzopyrans Benzodioxoles Anisoles Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Oxacyclic compounds Acetals Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2p-methoxyisoflavonoid-skeleton - Hydroxyisoflavonoid - Isoflavanol - Isoflavan - Chromane - Benzopyran - 1-benzopyran - Benzodioxole - Anisole - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Benzenoid - Organoheterocyclic compound - Oxacycle - Ether - Acetal - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 2'-o-methylated isoflavonoids. These are isoflavonoids with methoxy groups attached to the C2' atom of the isoflavonoid backbone. Isoflavonoids are natural products derived from 3-phenylchromen-4-one.
External Descriptors
LIPIDMAPS (LMPK12080032) : Isoflavans