Compound Identification
SMILES
CCCCC1=CC=C(C=C1)N1N=C2C=C(Cl)C(NC(=O)C3=CC=CC(=C3)C3=CC4=CC=CC=C4OC3=O)=CC2=N1
InChIKey
InChIKey=OYLIFVCYBXPPAH-UHFFFAOYSA-N
Formula
C32H25ClN4O3
Mass
549.03
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
Phenyl-1,2,3-triazoles Coumarins and derivatives 1-benzopyrans Benzamides Benzotriazoles Benzoyl derivatives Pyranones and derivatives Aryl chlorides Heteroaromatic compounds Secondary carboxylic acid amides Lactones Azacyclic compounds Oxacyclic compounds Organic oxides Organochlorides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflav-3-enone skeleton - Coumarin - Phenyltriazole - Phenyl-1,2,3-triazole - Benzopyran - 1-benzopyran - Benzamide - Benzoic acid or derivatives - Benzotriazole - Benzoyl - Pyranone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyran - Benzenoid - Azole - 1,2,3-triazole - Triazole - Heteroaromatic compound - Secondary carboxylic acid amide - Lactone - Carboxamide group - Azacycle - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen 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