Compound Identification
SMILES
OC(=O)C1=CC=CC(=C1)C1=C(CC(=O)NC2=C(C=C(F)C=C2)C(F)(F)F)C(=O)OC2=CC(Cl)=C(CN3CCN(CC3)C3=CC=CC=C3)C=C12
InChIKey
InChIKey=ABIGFBOSAZDAHV-UHFFFAOYSA-N
Formula
C36H28ClF4N3O5
Mass
694.08
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Neoflavonoids
- Subclass Neoflavones
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Class
Neoflavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Neoflavonoids
Subclass
Neoflavones
Intermediate Tree Nodes
Not available
Direct Parent
Neoflavones
Alternative Parents
Phenylpiperazines N-arylpiperazines Coumarins and derivatives Trifluoromethylbenzenes 1-benzopyrans Anilides Benzoic acids Aniline and substituted anilines Benzoyl derivatives N-arylamides Dialkylarylamines Pyranones and derivatives Aralkylamines N-alkylpiperazines Fluorobenzenes Aryl chlorides Aryl fluorides Heteroaromatic compounds Lactones Trialkylamines Secondary carboxylic acid amides Amino acids Carboxylic acids Azacyclic compounds Oxacyclic compounds Carbonyl compounds Organic oxides Organochlorides Alkyl fluorides Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylcoumarin - Phenylpiperazine - N-arylpiperazine - Coumarin - Trifluoromethylbenzene - Benzopyran - 1-benzopyran - Benzoic acid - Benzoic acid or derivatives - Anilide - Benzoyl - Tertiary aliphatic/aromatic amine - N-arylamide - Dialkylarylamine - Aniline or substituted anilines - Aralkylamine - Fluorobenzene - N-alkylpiperazine - Halobenzene - Pyranone - 1,4-diazinane - Benzenoid - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Piperazine - Pyran - Heteroaromatic compound - Amino acid or derivatives - Amino acid - Carboxamide group - Tertiary aliphatic amine - Lactone - Secondary carboxylic acid amide - Tertiary amine - Organoheterocyclic compound - Azacycle - Oxacycle - Carboxylic acid - Carboxylic acid derivative - Alkyl fluoride - Carbonyl group - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Alkyl halide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as neoflavones. These are neoflavonoids with a structure based on the 4-phenylcoumarin skeleton.
External Descriptors
Not available