Compound Identification
SMILES
CCCCCCCCCCCCCC(=O)OCC1=C[C@H]2C3C(C)(C)C3(OC(C)=O)[C@H](OC(=O)CCCCCCCCCCCCC)[C@@H](C)[C@]2(O)[C@@H]2C=C(C)C(=O)[C@]2(O)C1
InChIKey
InChIKey=SCKGCFZOPIYMSK-TXSUOPFHSA-N
Formula
C50H82O9
Mass
827.197
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
Tricarboxylic acids and derivatives Fatty acid esters Tertiary alcohols Ketones Cyclic alcohols and derivatives Carboxylic acid esters Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Phorbol ester - Tricarboxylic acid or derivatives - Fatty acid ester - Fatty acyl - Cyclic alcohol - Tertiary alcohol - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Organic oxide - Organic oxygen compound - Alcohol - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - 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