Structure Information
Structure

Compound Identification

SMILES

COC(=O)[C@H]1[C@H]2C=C[C@@H]3[C@@]22C(C(C[C@]13C)OC(=S)OC1=CC=CC=C1)C2(C)C

InChIKey

InChIKey=HMHBVNXBTYRFBE-AUGAXGEUSA-N

Formula

C23H26O4S

Mass

398.52

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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

Aromadendrane sesquiterpenoids

Alternative Parents

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

Aromadendrane sesquiterpenoid - Phenoxy compound - Monocyclic benzene moiety - Benzenoid - Thiocarbonic acid diester - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as aromadendrane sesquiterpenoids. These are sesquiterpenoids with a structure based on an aromadendrane (a cyclopropa[e]azulene derivative) skeleton. Some aromadendrane sesquiterpenoids are found in essential oils. Certain aromadendrane Sesquiterpenoids from the Leaves of Xylopia brasiliensis were found to possess antifungal activities.

External Descriptors

Not available

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