Compound Identification
SMILES
[O-]C(=O)C(F)(F)F.CC1=C(C(=O)C2=C(O1)C=C(OC(=O)C1CCC[NH2+]1)C=C2)C1=CC2=C(OCCCO2)C=C1
InChIKey
InChIKey=XNAPIDDUDVNTMU-UHFFFAOYSA-N
Formula
C26H24F3NO8
Mass
535.472
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
-
Class
Isoflavonoids
-
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 Phenol esters Pyrrolidine carboxylic acids Pyranones and derivatives Alkyl aryl ethers Quaternary ammonium salts Heteroaromatic compounds Alpha-halocarboxylic acids Carboxylic acid salts Carboxylic acid esters Azacyclic compounds Dialkylamines Monocarboxylic acids and derivatives Carboxylic acids Oxacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic zwitterions Alkyl fluorides Organofluorides
Molecular Framework
Not available
Substituents
Isoflavone - Alpha-amino acid ester - Proline or derivatives - Chromone - Alpha-amino acid or derivatives - Phenol ester - Benzopyran - 1-benzopyran - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Alkyl aryl ether - Pyranone - Pyran - Benzenoid - Alpha-halocarboxylic acid or derivatives - Heteroaromatic compound - Alpha-halocarboxylic acid - Pyrrolidine - Quaternary ammonium salt - Carboxylic acid salt - Carboxylic acid ester - Oxacycle - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Ether - Secondary aliphatic amine - Carboxylic acid derivative - Organoheterocyclic compound - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Amine - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - Alkyl fluoride - 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