Structure Information
Structure

Compound Identification

SMILES

COC1=CC=CC(O)=C1C1C2=CCC3C(C2CC2C(=O)N(NC4=CC=C(F)C=C4)C(=O)C12C1=CC=C(Cl)C=C1)C(=O)N(C3=O)C1=CC=C(I)C=C1

InChIKey

InChIKey=OCADXYRFXVXWMN-UHFFFAOYSA-N

Formula

C39H30ClFIN3O6

Mass

818.04

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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 - Phenylhydrazine - Phenol ether - Anisole - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Iodobenzene - Halobenzene - Fluorobenzene - 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 - Azacycle - Iodoalkene - Fluoroalkene - Chloroalkene - Haloalkene - Organoheterocyclic compound - Vinyl iodide - Vinyl halide - Vinyl fluoride - Vinyl chloride - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organoiodide - Organofluoride - 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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