Compound Identification
SMILES
COCC(=O)N(C(C)C(=O)OC)C1=C(C)C=CC=C1C.COC1=CC=C(C=C1)C1=COC2=C(C=CC(O)=C2)C1=O
InChIKey
InChIKey=GBNPMBBMLUKFJZ-UHFFFAOYSA-N
Formula
C31H33NO8
Mass
547.604
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Isoflavonoids
-
Subclass
O-methylated isoflavonoids
-
Level 5
4'-O-methylated isoflavonoids
- Level 6 4'-O-methylisoflavones
-
Level 5
4'-O-methylated isoflavonoids
-
Subclass
O-methylated isoflavonoids
-
Class
Isoflavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Isoflavonoids
Subclass
O-methylated isoflavonoids
Intermediate Tree Nodes
4'-O-methylated isoflavonoids
Direct Parent
4'-O-methylisoflavones
Alternative Parents
Hydroxyisoflavonoids Isoflavones Alpha amino acid esters Alanine and derivatives Chromones Anilides m-Xylenes Anisoles Phenoxy compounds Methoxybenzenes Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Pyranones and derivatives Heteroaromatic compounds Tertiary carboxylic acid amides Methyl esters Oxacyclic compounds Dialkyl ethers Monocarboxylic acids and derivatives Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Not available
Substituents
4p-o-methylisoflavone - Isoflavone - Hydroxyisoflavonoid - Alpha-amino acid ester - Chromone - Alanine or derivatives - 1-benzopyran - Benzopyran - Alpha-amino acid or derivatives - Anilide - Phenol ether - Phenoxy compound - M-xylene - Xylene - Methoxybenzene - Anisole - Alkyl aryl ether - Pyranone - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Pyran - Monocyclic benzene moiety - Heteroaromatic compound - Methyl ester - Tertiary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Ether - Dialkyl ether - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 4'-o-methylisoflavones. These are isoflavones with methoxy groups attached to the C4' atom of the isoflavone backbone.
External Descriptors
Not available