Compound Identification
SMILES
OC(=O)C(CCCC(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)CC(=O)C1=CC=C(C=C1)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=YKQMEBBEGAOYJN-UHFFFAOYSA-N
Formula
C32H27ClO5
Mass
527.01
Taxonomic Classification
Taxonomy Tree
-
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
Alkyl-phenylketones Chlorinated biphenyls Diphenylethers Butyrophenones Diarylethers Medium-chain keto acids and derivatives Gamma-keto acids and derivatives Aryl alkyl ketones Phenol ethers Phenoxy compounds Benzoyl derivatives Halogenated fatty acids Chlorobenzenes Branched fatty acids Aryl chlorides Carboxylic acids Monocarboxylic acids and derivatives Hydrocarbon derivatives Organochlorides Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Linear 1,7-diphenylheptane skeleton - Chlorinated biphenyl - Alkyl-phenylketone - Diphenylether - Biphenyl - Diaryl ether - Butyrophenone - Phenylketone - Medium-chain keto acid - Phenoxy compound - Gamma-keto acid - Aryl alkyl ketone - Benzoyl - Phenol ether - Aryl ketone - Branched fatty acid - Chlorobenzene - Halobenzene - Halogenated fatty acid - Fatty acyl - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Benzenoid - Keto acid - Ketone - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - 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