Compound Identification
SMILES
COC1OC2=C(C=CC(OS(=O)(=O)C3=CC=C(C)C=C3)=C2)C(=O)C1(OC(C)=O)C1=C(OS(=O)(=O)C2=CC=C(C)C=C2)C=C(OC)C=C1
InChIKey
InChIKey=JKGWQJBNJOQVJL-UHFFFAOYSA-N
Formula
C33H30O12S2
Mass
682.71
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 Isoflavanones p-Methylbenzenesulfonates Benzenesulfonate esters Chromones Tosyl compounds Benzyloxycarbonyls Arylsulfonic acids and derivatives Benzenesulfonyl compounds Anisoles Aryl alkyl ketones Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Alpha-acyloxy ketones Organosulfonic acid esters Sulfonyls Carboxylic acid esters Oxacyclic compounds Acetals Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-methoxyisoflavonoid-skeleton - 4p-methoxyisoflavonoid - Isoflavanone - Isoflavan - Benzenesulfonate ester - Chromone - P-methylbenzenesulfonate - Chromane - Benzopyran - Benzyloxycarbonyl - Benzenesulfonate - Tosyl compound - 1-benzopyran - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Phenoxy compound - Anisole - Methoxybenzene - Aryl alkyl ketone - Phenol ether - Aryl ketone - Toluene - Alkyl aryl ether - Alpha-acyloxy ketone - Benzenoid - Organosulfonic acid ester - Monocyclic benzene moiety - Organic sulfonic acid or derivatives - Sulfonyl - Organosulfonic acid or derivatives - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Ether - Organoheterocyclic compound - Oxacycle - Acetal - Carboxylic acid derivative - Organic oxide - Organosulfur compound - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Carbonyl group - 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