Structure Information
Structure

Compound Identification

SMILES

CCCCCCCCCC(=O)O[C@]12[C@H]([C@@H]3C=C(CO)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]3(O)[C@H](C)[C@H]1OC(=O)C(\C)=C\C)C2(C)C

InChIKey

InChIKey=QWYNFKKVBDGBLL-KFWZAFQTSA-N

Formula

C35H52O8

Mass

600.793

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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

Aliphatic homopolycyclic compounds

Substituents

Phorbol ester - Fatty acid ester - Dicarboxylic acid or derivatives - Fatty acyl - Cyclic alcohol - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary alcohol - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alcohol - Carbonyl group - Organooxygen compound - Primary alcohol - Aliphatic homopolycyclic 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

CHEBI:28366 : fatty acid ester - phorbol ester
KEGG (C09157) : Tigliane and ingenane diterpenoids - Tiglianes

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