Compound Identification
SMILES
COc1ccc(\C=C\C(=O)[C@@H]2C[C@H]2Cc2cccc(Cl)c2OCc2ccccc2)cc1O
InChIKey
InChIKey=MNISENMXNHDDQR-CZTRIHPMSA-N
Formula
C27H25ClO4
Mass
448.94
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
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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
Hydroxycinnamic acids and derivatives Methoxyphenols Anisoles Styrenes Methoxybenzenes Phenoxy compounds 1-hydroxy-4-unsubstituted benzenoids Chlorobenzenes 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Aryl chlorides Enones Acryloyl compounds Ketones Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Linear 1,7-diphenylheptane skeleton - Cinnamic acid or derivatives - Hydroxycinnamic acid or derivatives - Methoxyphenol - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Styrene - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - Chlorobenzene - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Phenol - Benzenoid - Aryl halide - Monocyclic benzene moiety - Aryl chloride - Alpha,beta-unsaturated ketone - Acryloyl-group - Enone - Ketone - Ether - Organic oxide - Carbonyl group - Organohalogen compound - Organochloride - Organooxygen compound - Hydrocarbon derivative - 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