Structure Information
Structure

Compound Identification

SMILES

CC1CCC2C(C)(C)C3CC12CCC3(C)OC(=O)NC1=CC=C(C=C1)N=NC1=CC=CC=C1

InChIKey

InChIKey=KVAHSFBEHKORJU-UHFFFAOYSA-N

Formula

C28H35N3O2

Mass

445.607

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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

Cedrane and isocedrane sesquiterpenoids

Alternative Parents

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

Cedrane sesquiterpenoid - Azobenzene - Phenylcarbamic acid ester - Monocyclic benzene moiety - Benzenoid - Carbamic acid ester - Azo compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as cedrane and isocedrane sesquiterpenoids. These are sesquiternoids with a structure based on the cedrane or the isocedrane skeleton. Cedrane is a tricyclic molecules a 3,6,8,8-tetramethyl-1H-3a,7-methano-azulene moiety. Isocedrane is a rearranged cedrane arising from the migration of methyl group moved from the 6-position to the 4-position.

External Descriptors

Not available

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