Compound Identification
SMILES
CC(C)=O.C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O.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=HGFZWDPDQOTAKR-MKGGFZRYSA-N
Formula
C59H90O12
Mass
991.357
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
-
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
Retinoids Medium-chain fatty acids Fatty acid esters Methyl-branched fatty acids Unsaturated fatty acids Dicarboxylic acids and derivatives Tertiary alcohols Ketones Carboxylic acid esters Cyclic alcohols and derivatives Secondary alcohols Polyols Carboxylic acids Primary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Phorbol ester - Retinoic acid - Retinoid skeleton - Medium-chain fatty acid - Branched fatty acid - Methyl-branched fatty acid - Fatty acid ester - Fatty acyl - Fatty acid - Unsaturated fatty acid - Dicarboxylic acid or derivatives - Cyclic alcohol - Tertiary alcohol - Carboxylic acid ester - Secondary alcohol - Ketone - Carboxylic acid derivative - Carboxylic acid - Polyol - Hydrocarbon derivative - Organic oxide - Alcohol - Carbonyl group - Primary alcohol - Organic oxygen compound - Organooxygen compound - 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
Not available