Compound Identification
SMILES
CC1=C(C(=O)C2=C(O1)C=C(OC(=O)C1=CC=NC=C1)C=C2)C1=C(F)C=CC=C1Cl
InChIKey
InChIKey=UUXDEHOKQUHLFY-UHFFFAOYSA-N
Formula
C22H13ClFNO4
Mass
409.8
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
Chromones Phenol esters Pyridinecarboxylic acids Pyranones and derivatives Chlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides Heteroaromatic compounds Carboxylic acid esters Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Organonitrogen compounds Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflavone - Chromone - Benzopyran - Phenol ester - 1-benzopyran - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Chlorobenzene - Fluorobenzene - Halobenzene - Pyranone - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyran - Benzenoid - Pyridine - Heteroaromatic compound - Carboxylic acid ester - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organofluoride - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen 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