Compound Identification
SMILES
ClC1=CC=C(C=C1)C(=O)N1CCN(CC1)C1=CC=C(NC(=O)C2=CC=CC(=C2)C2=CC3=CC=CC=C3OC2=O)C=C1
InChIKey
InChIKey=JXFHNTAWSQKJNW-UHFFFAOYSA-N
Formula
C33H26ClN3O4
Mass
564.04
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
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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
Benzanilides Phenylpiperazines N-arylpiperazines Coumarins and derivatives 1-benzopyrans 4-halobenzoic acids and derivatives Benzamides Aniline and substituted anilines Benzoyl derivatives Dialkylarylamines Pyranones and derivatives Chlorobenzenes Aryl chlorides Tertiary carboxylic acid amides Heteroaromatic compounds Lactones Amino acids and derivatives Secondary carboxylic acid amides Azacyclic compounds Oxacyclic compounds Organic oxides Organochlorides Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflav-3-enone skeleton - Benzanilide - Aromatic anilide - N-arylpiperazine - Phenylpiperazine - Coumarin - Benzopyran - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 1-benzopyran - Benzamide - Benzoic acid or derivatives - Tertiary aliphatic/aromatic amine - Benzoyl - Aniline or substituted anilines - Dialkylarylamine - Halobenzene - Pyranone - Chlorobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Benzenoid - Piperazine - Pyran - Tertiary carboxylic acid amide - Heteroaromatic compound - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Lactone - Oxacycle - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organochloride - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Amine - Organic nitrogen compound - Organohalogen 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