Structure Information
Structure

Compound Identification

SMILES

CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)C4=C(C=CC=C4O)[C@@]3(C)O)C(=O)[C@]2(O)C(O)=C(C#N)C1=O

InChIKey

InChIKey=WGGKYSHXBWTNBO-RJXLLEDASA-N

Formula

C22H22N2O7

Mass

426.425

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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

Sesquiterpenoids

Alternative Parents

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

Sesquiterpenoid - 1-naphthol - Naphthalene - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Cyclohexenone - B'-hydroxy-alpha,beta-unsaturated-ketone - Alpha-branched alpha,beta-unsaturated-ketone - Benzenoid - Gamma-aminoketone - Beta-hydroxy ketone - Acyloin - Vinylogous acid - Alpha,beta-unsaturated ketone - Tertiary alcohol - Enone - Cyclic alcohol - Alpha-hydroxy ketone - Alpha-aminoketone - Acryloyl-group - 1,3-aminoalcohol - Cyclic ketone - Tertiary aliphatic amine - Tertiary amine - Ketone - Nitrile - Carbonitrile - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.

External Descriptors

Not available

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