Compound Identification
SMILES
CC(C)(C)C1=CC=C(C=C1)C(=O)CCCC(CC(=O)C1=CC=C(C=C1)C1=CC=C(Cl)C=C1)C(O)=O
InChIKey
InChIKey=RNVUDBCLFLLIFW-UHFFFAOYSA-N
Formula
C30H31ClO4
Mass
491.02
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
-
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
Alkyl-phenylketones Chlorinated biphenyls Butyrophenones Phenylpropanes Medium-chain keto acids and derivatives Aryl alkyl ketones Benzoyl derivatives Gamma-keto acids and derivatives Branched fatty acids Halogenated fatty acids Chlorobenzenes Aryl chlorides Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Organochlorides Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Linear 1,7-diphenylheptane skeleton - Chlorinated biphenyl - Alkyl-phenylketone - Biphenyl - Butyrophenone - Phenylketone - Medium-chain keto acid - Phenylpropane - Gamma-keto acid - Aryl alkyl ketone - Benzoyl - Aryl ketone - Branched fatty acid - Chlorobenzene - Halobenzene - Halogenated fatty acid - Fatty acyl - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Keto acid - Benzenoid - Ketone - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonyl group - Organohalogen compound - Organochloride - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic 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