Structure Information
Structure

Compound Identification

SMILES

CC(C)C1=CC2=C(C)C=C(C(=O)OC3=CC(=C(O)C=C3C(C)(C)C)C(C)(C)C)C2=C(C)C=C1

InChIKey

InChIKey=ICCQKZQVEZUWQW-UHFFFAOYSA-N

Formula

C30H38O3

Mass

446.631

Export to:

JSON SDF CSV

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

Guaianes

Alternative Parents

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

Guaiane sesquiterpenoid - Azulene - Phenol ester - Phenylpropane - Phenoxy compound - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as guaianes. These are sesquiterpenoids with a structure based on the guaiane skeleton. Guaiane is a bicyclic compound consisting of a decahydroazulene moiety, substituted with two methyl groups and a 1-methylethyl group at the 1-, 4-, and 7-position, respectively.

External Descriptors

Not available

Previous Back Next