Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1=C(C)N=C2SC(=CC3=CC(Br)=C(OC)C=C3)C(=O)N2C1C1=CC=C(C=C1)C(C)C

InChIKey

InChIKey=SPAXKJSNSAHEOH-UHFFFAOYSA-N

Formula

C27H27BrN2O4S

Mass

555.49

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Prenol lipids

Subclass

Monoterpenoids

Intermediate Tree Nodes

Not available

Direct Parent

Bicyclic monoterpenoids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

P-cymene - Aromatic monoterpenoid - Bicyclic monoterpenoid - Cumene - Phenylpropane - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azole - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Thiazole - Lactam - Carboxylic acid ester - Isothiourea - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Ether - Hydrocarbon derivative - Organobromide - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organohalogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other.

External Descriptors

Not available

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