Compound Identification
SMILES
CCCCCCCCCCCC1(CCCC(=O)OC2C(C)C3(O)C4C=C(C)C(=O)C4(O)CC(CO)=CC3C3C(C)(C)C23OC(C)=O)OCC(C)(C)N1[O]
InChIKey
InChIKey=ZCIOBJHSFRJWBX-UHFFFAOYSA-N
Formula
C42H66NO10
Mass
744.987
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
Fatty acid esters Dicarboxylic acids and derivatives Tertiary alcohols Oxazolidines Ketones Cyclic alcohols and derivatives Carboxylic acid esters Oxacyclic compounds Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Phorbol ester - Fatty acid ester - Fatty acyl - Dicarboxylic acid or derivatives - Tertiary alcohol - Oxazolidine - Cyclic alcohol - Ketone - Carboxylic acid ester - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Carbonyl group - Alcohol - Aliphatic 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