Compound Identification
SMILES
COC1=CC(OCC2=CC=CC=C2)=C(C=C1)C1(OC)C(OC(C)=O)OC2=C(C=CC(OCC3=CC=CC=C3)=C2)C1=O
InChIKey
InChIKey=LXPXFIRBNHJDRF-UHFFFAOYSA-N
Formula
C33H30O8
Mass
554.595
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
3-O-methylated isoflavonoids Isoflavanones Chromones Benzylethers Phenoxy compounds Anisoles Methoxybenzenes Aryl alkyl ketones Alkyl aryl ethers Carboxylic acid esters Oxacyclic compounds Acetals Dialkyl ethers Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-methoxyisoflavonoid-skeleton - 4p-methoxyisoflavonoid - Isoflavanone - Isoflavan - Chromone - Chromane - Benzopyran - 1-benzopyran - Benzylether - Aryl ketone - Methoxybenzene - Phenol ether - Aryl alkyl ketone - Anisole - Phenoxy compound - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Ketone - Carboxylic acid ester - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Oxacycle - Acetal - Monocarboxylic acid or derivatives - Dialkyl ether - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - 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
Not available