Compound Identification
SMILES
CCOC(=O)C1=C(C(=O)C2=C(O1)C(C[NH+]1CCCC(C)C1)=C([O-])C=C2)C1=CC=C(OC)C=C1
InChIKey
InChIKey=QQTWWOQRDDRKSV-UHFFFAOYSA-N
Formula
C26H29NO6
Mass
451.519
Taxonomic Classification
Taxonomy Tree
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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
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Level 5
4'-O-methylated isoflavonoids
- Level 6 4'-O-methylisoflavones
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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
4'-O-methylated isoflavonoids
Direct Parent
4'-O-methylisoflavones
Alternative Parents
Isoflavones Chromones Anisoles Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Aralkylamines Pyranones and derivatives Phenoxides Piperidines Heteroaromatic compounds Quaternary ammonium salts Trialkylamines Carboxylic acid esters Amino acids and derivatives Azacyclic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives Organic salts Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4p-o-methylisoflavone - Isoflavone - Chromone - Benzopyran - 1-benzopyran - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Aralkylamine - Phenoxide - Pyranone - Monocyclic benzene moiety - Piperidine - Pyran - Benzenoid - Quaternary ammonium salt - Heteroaromatic compound - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Ether - Oxacycle - Amine - Organic zwitterion - Hydrocarbon derivative - Organic nitrogen compound - Organic salt - Organic oxygen compound - Organic oxide - 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