Structure Information
Structure

Compound Identification

SMILES

CC(C)C1=CC2=C(C#N)C(N=CN(C)C)=C(C#N)C2=C(CN2CCOCC2)C=C1

InChIKey

InChIKey=BIGNTNZLUYQSKT-UHFFFAOYSA-N

Formula

C23H27N5O

Mass

389.503

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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

Guaianes

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Guaiane sesquiterpenoid - Azulene - Aralkylamine - Morpholine - Oxazinane - Tertiary amine - Tertiary aliphatic amine - Oxacycle - Carboxylic acid amidine - Dialkyl ether - Ether - Formamidine - Carbonitrile - Nitrile - Amidine - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Organooxygen compound - Organopnictogen compound - Hydrocarbon derivative - Amine - Organic oxygen compound - Organic nitrogen compound - Cyanide - Organonitrogen compound - Aromatic heteropolycyclic 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

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