Compound Identification
SMILES
COC1=CC=C(C=C1)C12OC1OC1=C(C=CC(OC3CCCCO3)=C1)C2=O
InChIKey
InChIKey=XFOPTVJYFVBADW-UHFFFAOYSA-N
Formula
C21H20O6
Mass
368.385
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
Isoflavones Isoflavanones Chromones Phenoxy compounds Methoxybenzenes Aryl alkyl ketones Anisoles Alkyl aryl ethers Oxanes Oxacyclic compounds Epoxides Acetals Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4p-methoxyisoflavonoid - Isoflavone - Isoflavanone - Isoflavan - Chromone - 1-benzopyran - Benzopyran - Chromane - Phenoxy compound - Methoxybenzene - Aryl alkyl ketone - Aryl ketone - Phenol ether - Anisole - Alkyl aryl ether - Benzenoid - Oxane - Monocyclic benzene moiety - Ketone - Oxacycle - Organoheterocyclic compound - Ether - Oxirane - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - 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
Not available