Structure Information
Structure

Compound Identification

SMILES

C\C(=C/C1=CC=C(C=C1)C(O)=O)C1=CC2=C(SCC2(C)C)C=C1.CCCCCCCCCCCCCC(=O)OCC1(C)[C@H]2[C@@H]3C=C(CO)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]3(O)[C@H](C)[C@@H](O)[C@@]12OC(C)=O

InChIKey

InChIKey=AYONEHFAXVWZMN-WQACGJFTSA-N

Formula

C56H76O11S

Mass

957.27

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Prenol lipids

Subclass

Diterpenoids

Intermediate Tree Nodes

Tigliane and ingenane diterpenoids

Direct Parent

Phorbol esters

Alternative Parents

Molecular Framework

Not available

Substituents

Phorbol ester - Stilbene - Benzoic acid or derivatives - Benzoic acid - Aryl thioether - Benzoyl - Styrene - Alkylarylthioether - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Dicarboxylic acid or derivatives - Tertiary alcohol - Cyclic alcohol - Ketone - Secondary alcohol - Carboxylic acid ester - Organoheterocyclic compound - Carboxylic acid derivative - Thioether - Carboxylic acid - Polyol - Carbonyl group - Alcohol - Organic oxygen compound - Organic oxide - Primary alcohol - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as phorbol esters. These are tigliane diterpenoids which are esters of phorbol.

External Descriptors

Not available

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