Structure Information
Structure

Compound Identification

SMILES

COC1=C(O)C=CC(CC(=O)OCC2=C[C@H]3[C@@H]4C(C)(C)[C@]4(OC(C)=O)[C@H](OC(=O)CC4=CC=CC=C4)[C@@H](C)[C@]3(O)[C@@H]3C=C(C)[C@H](O)[C@@]3(O)C2)=C1

InChIKey

InChIKey=NRTAJVBNDMCNMO-ZTCDFJBOSA-N

Formula

C39H46O11

Mass

690.786

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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

Aromatic homopolycyclic compounds

Substituents

Phorbol ester - Methoxyphenol - Tricarboxylic acid or derivatives - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Monocyclic benzene moiety - Benzenoid - Tertiary alcohol - Cyclic alcohol - Carboxylic acid ester - Secondary alcohol - Ether - Carboxylic acid derivative - Polyol - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Alcohol - Organic oxide - Aromatic 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

Not available

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