Compound Identification
SMILES
COC(=O)C1=CC(CC2=C(OC)C(=CC(=C2)C(CCl)C2=CC(CC3=CC(Cl)=C(OC)C(=C3)C(=O)OC)=C(OC)C(=C2)C(=O)OC)C(=O)OC)=CC(Cl)=C1OC
InChIKey
InChIKey=JZOTZGGTMARWPU-UHFFFAOYSA-N
Formula
C40H39Cl3O12
Mass
818.09
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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
Diphenylmethanes O-methoxybenzoic acids and derivatives 3-halobenzoic acids and derivatives Benzoic acid esters Methoxybenzenes Phenoxy compounds Benzoyl derivatives Anisoles Chlorobenzenes Alkyl aryl ethers Aryl chlorides Methyl esters Organic oxides Hydrocarbon derivatives Alkyl chlorides Organochlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Linear 1,7-diphenylheptane skeleton - Diphenylmethane - O-methoxybenzoic acid or derivatives - Benzoate ester - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Methoxybenzene - Phenol ether - Anisole - Phenoxy compound - Benzoyl - Halobenzene - Alkyl aryl ether - Chlorobenzene - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Methyl ester - Carboxylic acid ester - Ether - Carboxylic acid derivative - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organochloride - Alkyl halide - Alkyl chloride - 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