Compound Identification
SMILES
ClC1=CC=CC(N\N=C2/C=CC(=O)C(C=NC3=CC=C(C=C3)C3=CC4=CC=CC=C4OC3=O)=C2)=C1
InChIKey
InChIKey=KDKNXHDOEYEGGH-JGFDJLPISA-N
Formula
C28H18ClN3O3
Mass
479.92
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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Class
Isoflavonoids
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Subclass
Isoflav-3-enes
- Level 5 Isoflav-3-enones
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Subclass
Isoflav-3-enes
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Class
Isoflavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Isoflavonoids
Subclass
Isoflav-3-enes
Intermediate Tree Nodes
Not available
Direct Parent
Isoflav-3-enones
Alternative Parents
Coumarins and derivatives 1-benzopyrans Phenylhydrazines Pyranones and derivatives Chlorobenzenes Aryl chlorides Heteroaromatic compounds Shiff bases Cyclic ketones Lactones Propargyl-type 1,3-dipolar organic compounds Hydrazones Oxacyclic compounds Organic oxides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflav-3-enone skeleton - Coumarin - Benzopyran - 1-benzopyran - Phenylhydrazine - Chlorobenzene - Halobenzene - Pyranone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - Cyclic ketone - Shiff base - Lactone - Ketone - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Oxacycle - Aldimine - Organic 1,3-dipolar compound - Hydrazone - Organooxygen compound - Imine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoflav-3-enones. These are flavonoids with a structure based on an isoflav-3-ene skeleton bearing an oxo-group at position C2.
External Descriptors
Not available