Structure Information
Structure

Compound Identification

SMILES

COC1=C(O)C=C(C=C1)C1C2=CCC3C(C2CC2C(=O)N(C(=O)C12C1=CC=CC=C1)C1=CC(Cl)=CC=C1)C(=O)N(C(N)=O)C3=O

InChIKey

InChIKey=CLWZIDORTZJYLF-UHFFFAOYSA-N

Formula

C34H28ClN3O7

Mass

626.06

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Prenol lipids

Subclass

Sesquiterpenoids

Intermediate Tree Nodes

Not available

Direct Parent

Elemane sesquiterpenoids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Elemane sesquiterpenoid - Stilbene - 2-naphthalenecarboxamide - Cyclohexylphenol - 3-phenylpyrrolidine - 1-phenylpyrrolidine - Methoxyphenol - Isoindolone - Isoindole or derivatives - Isoindoline - Phenoxy compound - Methoxybenzene - Pyrrolidine-1-carboxamide - Pyrrolidine carboxylic acid or derivatives - Phenol ether - Anisole - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Ureide - Phenol - N-acyl urea - Halobenzene - Chlorobenzene - Alkyl aryl ether - Benzenoid - 2-pyrrolidone - Pyrrolidone - Carboxylic acid imide, n-substituted - N-acyl-amine - Monocyclic benzene moiety - Pyrrolidine - Pyrrole - Dicarboximide - Carboxylic acid imide - Carbonic acid derivative - Azacycle - Chloroalkene - Haloalkene - Organoheterocyclic compound - Vinyl halide - Vinyl chloride - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as elemane sesquiterpenoids. These are sesquiterpenoids with a structure based on the elemane skeleton. Elemane is a monocyclic compound consisting of a cyclohexane ring substituted with a methyl group, an ethyl group, and two 1-methylethyl groups at the 1-, 1-, 2-, and 4-position, respectively.

External Descriptors

Not available

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