Structure Information
Structure

Compound Identification

SMILES

C[C@@H]1[C@@H](OC(=O)CCCCCCCCCCCNS(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C)C2(O)C([C@@H]3C=C(CO)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]13O)C2(C)C

InChIKey

InChIKey=XEBYKMZACZDPNP-JUVIYOJNSA-N

Formula

C44H62N2O9S

Mass

795.05

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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 - 1-naphthalene sulfonamide - Naphthalene sulfonamide - 1-naphthalene sulfonic acid or derivatives - Naphthalene sulfonic acid or derivatives - Naphthalene - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Fatty acid ester - Fatty acyl - Benzenoid - Organosulfonic acid amide - Cyclic alcohol - Aminosulfonyl compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Tertiary alcohol - Sulfonyl - Amino acid or derivatives - Carboxylic acid ester - Cyclopropanol - Ketone - Tertiary amine - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Polyol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Alcohol - Organic oxide - Hydrocarbon derivative - Amine - Organic oxygen compound - Primary alcohol - Carbonyl group - Organopnictogen compound - 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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