Compound Identification
SMILES
COC1=C(OC)C(OC)=C(C=C1)C1COC2=C(C=C3C=COC3=C2)C1=O
InChIKey
InChIKey=PWEWBHDLPRFGPA-UHFFFAOYSA-N
Formula
C20H18O6
Mass
354.358
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 4'-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
4'-O-methylated isoflavonoids
Alternative Parents
2'-O-methylated isoflavonoids 3'-O-methylated isoflavonoids Isoflavanones Isoflavanols Furanoisoflavonoids Furanochromones Benzofurans Phenoxy compounds Anisoles Aryl alkyl ketones Methoxybenzenes Alkyl aryl ethers Furans Heteroaromatic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2p-methoxyisoflavonoid-skeleton - 3p-methoxyisoflavonoid-skeleton - 4p-methoxyisoflavonoid - Furanoisoflavonoid skeleton - Isoflavanol - Isoflavanone - Isoflavan - Furanochromone - Chromone - Chromane - Benzopyran - 1-benzopyran - Benzofuran - Phenol ether - Aryl ketone - Aryl alkyl ketone - Methoxybenzene - Phenoxy compound - Anisole - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Furan - Heteroaromatic compound - Ketone - Organoheterocyclic compound - Oxacycle - Ether - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 4'-o-methylated isoflavonoids. These are isoflavonoids with methoxy groups attached to the C4' atom of the isoflavonoid backbone. Isoflavonoids are natural products derived from 3-phenylchromen-4-one.
External Descriptors
LIPIDMAPS (LMPK12050455) : Isoflavonoids