Compound Identification
SMILES
[O-][N+](=O)C1=C(C=CC(Cl)=C1)N1CCN(CC1)C(=O)C1=CC=C(C=C1)C1=CC2=CC=CC=C2OC1=O
InChIKey
InChIKey=JSIUIRIMMQFPTA-UHFFFAOYSA-N
Formula
C26H20ClN3O5
Mass
489.91
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
-
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
Phenylpiperazines N-arylpiperazines Coumarins and derivatives 1-benzopyrans Benzamides Nitrobenzenes Aniline and substituted anilines Benzoyl derivatives Dialkylarylamines Nitroaromatic compounds Pyranones and derivatives Chlorobenzenes Aryl chlorides Tertiary carboxylic acid amides Heteroaromatic compounds Amino acids and derivatives Lactones Organic oxoazanium compounds Azacyclic compounds Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic salts Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflav-3-enone skeleton - N-arylpiperazine - Phenylpiperazine - Coumarin - Benzopyran - 1-benzopyran - Benzamide - Nitrobenzene - Benzoic acid or derivatives - Benzoyl - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Nitroaromatic compound - Chlorobenzene - Halobenzene - Pyranone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Pyran - Benzenoid - Tertiary carboxylic acid amide - Heteroaromatic compound - Amino acid or derivatives - Tertiary amine - Carboxamide group - C-nitro compound - Lactone - Organic nitro compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Oxacycle - Organic salt - Organooxygen compound - Amine - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organic cation - 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