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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
-
Subclass
Diterpenoids
-
Level 5
Tigliane and ingenane diterpenoids
- Level 6 Phorbol esters
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Level 5
Tigliane and ingenane diterpenoids
-
Subclass
Diterpenoids
-
Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
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
Stilbenes Benzoic acids Styrenes Benzoyl derivatives Alkylarylthioethers Fatty acid esters Dicarboxylic acids and derivatives Tertiary alcohols Secondary alcohols Carboxylic acid esters Ketones Cyclic alcohols and derivatives Polyols Organoheterocyclic compounds Carboxylic acids Organic oxides Primary alcohols Hydrocarbon derivatives
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