Compound Identification
SMILES
CCC1=C(C2=CC=C(OC)C=C2)C(C)(C)OC2=C1C=CC(OC(C)=O)=C2COC(C)=O
InChIKey
InChIKey=KHVACRWDPPJMQC-UHFFFAOYSA-N
Formula
C25H28O6
Mass
424.493
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
Isoflav-3-enes 2,2-dimethyl-1-benzopyrans Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Dicarboxylic acids and derivatives Carboxylic acid esters Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4p-methoxyisoflavonoid - Isoflav-3-ene skeleton - 2,2-dimethyl-1-benzopyran - Benzopyran - 1-benzopyran - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Carboxylic acid ester - Ether - Organoheterocyclic compound - Carboxylic acid derivative - Oxacycle - Organic oxygen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - 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
CHEBI:79679 : diester - acetate ester - monomethoxybenzene - chromenes