Structure Information
Structure

Compound Identification

SMILES

CCC1(C)CC(=O)C(=C1C1=CC=C(C=C1)S(C)(=O)=O)C1=CC=NC=C1

InChIKey

InChIKey=BEFCYEITXCNRPU-UHFFFAOYSA-N

Formula

C20H21NO3S

Mass

355.45

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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

Iridoids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Aromatic monoterpenoid - 11-noriridane monoterpenoid - Monocyclic monoterpenoid - Benzenesulfonyl group - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Sulfone - Sulfonyl - Ketone - Cyclic ketone - Azacycle - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as iridoids and derivatives. These are monoterpenes containing a skeleton structurally characterized by the presence of a cylopentane fused to a pyran ( forming a 4,7-dimethylcyclopenta[c]pyran), or a derivative where the pentane moiety is open.

External Descriptors

Not available

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