Compound Identification
SMILES
COC(=O)[C@@H](C)NC(=O)COC1=CC(O)=C2C(=O)C(=COC2=C1)C1=CC2=C(OCCO2)C=C1
InChIKey
InChIKey=IKPNEDWDRDUMDS-GFCCVEGCSA-N
Formula
C23H21NO9
Mass
455.419
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
-
Class
Isoflavonoids
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Subclass
Isoflav-2-enes
- Level 5 Isoflavones
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Subclass
Isoflav-2-enes
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Class
Isoflavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Isoflavonoids
Subclass
Isoflav-2-enes
Intermediate Tree Nodes
Not available
Direct Parent
Isoflavones
Alternative Parents
Hydroxyisoflavonoids Alpha amino acid esters N-acyl-alpha amino acids and derivatives Alanine and derivatives Chromones Benzo-1,4-dioxanes 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Pyranones and derivatives Alkyl aryl ethers Para dioxins Vinylogous acids Heteroaromatic compounds Methyl esters Secondary carboxylic acid amides Monocarboxylic acids and derivatives Oxacyclic compounds Carbonyl compounds Organic oxides Organonitrogen compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflavone - Hydroxyisoflavonoid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid ester - Chromone - Alanine or derivatives - 1-benzopyran - Benzopyran - Benzodioxane - Alpha-amino acid or derivatives - Benzo-1,4-dioxane - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Pyranone - Pyran - Para-dioxin - Benzenoid - Heteroaromatic compound - Vinylogous acid - Methyl ester - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Oxacycle - Ether - Organoheterocyclic compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organopnictogen compound - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoflavones. These are polycyclic compounds containing a 2-isoflavene skeleton which bears a ketone group at the C4 carbon atom.
External Descriptors
Not available