Compound Identification
SMILES
CCCCCCC=CC=CC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(C)=O
InChIKey
InChIKey=DSJJIOIWLRHICX-IORMMOQJSA-N
Formula
C33H46O8
Mass
570.723
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
Rhamnofolane and daphnane diterpenoids Long-chain fatty alcohols Fatty alcohol esters Fatty acid esters Dicarboxylic acids and derivatives Alpha-branched alpha,beta-unsaturated ketones Acyloins Tertiary alcohols Enones Enoate esters Alpha-hydroxy ketones Acryloyl compounds Cyclic alcohols and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Phorbol ester - Daphnane diterpenoid - Rhamnofolane diterpenoid - Long chain fatty alcohol - Fatty alcohol ester - Fatty alcohol - Fatty acid ester - Fatty acyl - Alpha-branched alpha,beta-unsaturated-ketone - Dicarboxylic acid or derivatives - Acyloin - Alpha,beta-unsaturated ketone - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary alcohol - Enone - Cyclic alcohol - Alpha-hydroxy ketone - Acryloyl-group - Ketone - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Alcohol - 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