Compound Identification
SMILES
O=C(OC1=CC2=C(C=C1)C(=O)C(=CO2)C1=CC2=C(OCCO2)C=C1)C1CCC[NH2+]1
InChIKey
InChIKey=WFKSMWKUOXZQNM-UHFFFAOYSA-O
Formula
C22H20NO6
Mass
394.402
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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
Proline and derivatives Alpha amino acid esters Chromones Benzo-1,4-dioxanes Pyrrolidine carboxylic acids Pyranones and derivatives Alkyl aryl ethers Para dioxins Benzenoids Heteroaromatic compounds Carboxylic acid esters Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Dialkylamines Organopnictogen compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflavone - Alpha-amino acid ester - Proline or derivatives - Chromone - Alpha-amino acid or derivatives - Benzo-1,4-dioxane - Benzodioxane - Benzopyran - 1-benzopyran - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Alkyl aryl ether - Pyranone - Para-dioxin - Pyran - Benzenoid - Pyrrolidine - Heteroaromatic compound - Amino acid or derivatives - Carboxylic acid ester - Secondary amine - Organoheterocyclic compound - Carboxylic acid derivative - Oxacycle - Secondary aliphatic amine - Ether - Azacycle - Monocarboxylic acid or derivatives - Carbonyl group - Organopnictogen compound - Organic nitrogen compound - Amine - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic cation - 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