Compound Identification
SMILES
CC(C)OC(=O)C1=CC(=CC=C1)C(O)(C1=CN=CN1C)C1=CC2=C(C=C1)N(C)C(=O)C=C2C1=CC(Cl)=CC=C1
InChIKey
InChIKey=PVQCDGVIODBZAM-UHFFFAOYSA-N
Formula
C31H28ClN3O4
Mass
542.03
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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Class
Diarylheptanoids
- Subclass Linear diarylheptanoids
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Class
Diarylheptanoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Diarylheptanoids
Subclass
Linear diarylheptanoids
Intermediate Tree Nodes
Not available
Direct Parent
Linear diarylheptanoids
Alternative Parents
Phenylquinolines Phenylpyridines Hydroquinolones Benzoic acid esters Hydroquinolines Benzoyl derivatives Imidazolyl carboxylic acids and derivatives Pyridinones Chlorobenzenes Aryl chlorides N-substituted imidazoles Tertiary alcohols Heteroaromatic compounds Carboxylic acid esters Lactams Azacyclic compounds Aromatic alcohols Organic oxides Organochlorides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Linear 1,7-diphenylheptane skeleton - Phenylquinoline - 4-phenylpyridine - Dihydroquinolone - Benzoate ester - Dihydroquinoline - Quinoline - Benzoic acid or derivatives - Benzoyl - Imidazolyl carboxylic acid derivative - Chlorobenzene - Halobenzene - Pyridinone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - N-substituted imidazole - Pyridine - Azole - Tertiary alcohol - Heteroaromatic compound - Imidazole - Carboxylic acid ester - Lactam - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Aromatic alcohol - Hydrocarbon derivative - Alcohol - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as linear diarylheptanoids. These are diarylheptanoids with an open heptane chain. The two aromatic rings are linked only by the heptane chain.
External Descriptors
Not available