Compound Identification
SMILES
CC1=C(C(=O)C2=C(O1)C=C(OCC(=O)N1CCC[C@@H]1C(N)=O)C=C2)C1=CC=C(F)C=C1
InChIKey
InChIKey=KHXJJVDQTAAFKX-GOSISDBHSA-N
Formula
C23H21FN2O5
Mass
424.428
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Isoflavonoids
-
Subclass
Isoflav-2-enes
- Level 5 Isoflavones
-
Subclass
Isoflav-2-enes
-
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 amides Chromones Pyrrolidinecarboxamides Phenol ethers N-acylpyrrolidines Pyranones and derivatives Alkyl aryl ethers Fluorobenzenes Aryl fluorides Tertiary carboxylic acid amides Heteroaromatic compounds Primary carboxylic acid amides Azacyclic compounds Oxacyclic compounds Organic oxides Organofluorides Carbonyl compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflavone - Proline or derivatives - Alpha-amino acid amide - Chromone - Alpha-amino acid or derivatives - Benzopyran - 1-benzopyran - N-acylpyrrolidine - Phenol ether - Pyrrolidine-2-carboxamide - Pyrrolidine carboxylic acid or derivatives - Alkyl aryl ether - Halobenzene - Fluorobenzene - Pyranone - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyran - Tertiary carboxylic acid amide - Pyrrolidine - Heteroaromatic compound - Carboxamide group - Primary carboxylic acid amide - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organooxygen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organofluoride - Organohalogen compound - 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