Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=C(N)N2C(=O)C(SC2=C(C#N)C1C1=CC=C(C=C1)C(C)C)=CC1=CC=C(C=C1)C(C)C

InChIKey

InChIKey=VKZJERGLTYMWTL-UHFFFAOYSA-N

Formula

C29H29N3O3S

Mass

499.63

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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 - Phenylpropane - Cumene - Monocyclic benzene moiety - Benzenoid - Azole - Thiazole - Methyl ester - Vinylogous amide - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Ketene acetal or derivatives - Lactam - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Amine - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Cyanide - Organic oxide - 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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