Compound Identification
SMILES
CC(NC1=NC=NC2=C1NC=N2)C1=C(C(=O)C2=C(O1)C=CC(F)=C2)C1=CC=CC=C1
InChIKey
InChIKey=YUSZXLCDUDCZGL-UHFFFAOYSA-N
Formula
C22H16FN5O2
Mass
401.401
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
6-alkylaminopurines Chromones Secondary alkylarylamines Pyranones and derivatives Aminopyrimidines and derivatives Aryl fluorides Benzene and substituted derivatives Imidolactams Imidazoles Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organic oxides Organofluorides Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflavone - Chromone - 6-alkylaminopurine - 6-aminopurine - Benzopyran - 1-benzopyran - Imidazopyrimidine - Purine - Aminopyrimidine - Secondary aliphatic/aromatic amine - Pyranone - Imidolactam - Benzenoid - Aryl fluoride - Aryl halide - Pyrimidine - Pyran - Monocyclic benzene moiety - Heteroaromatic compound - Azole - Imidazole - Oxacycle - Organoheterocyclic compound - Secondary amine - Azacycle - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Amine - Organofluoride - Organonitrogen compound - Organooxygen 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