Compound Identification
SMILES
COC1=C(O)C=CC(CC(=O)OCC2=C[C@H]3[C@@H]4C(C)(C)[C@]4(OC(C)=O)[C@H](OC(=O)CC4=CC=CC=C4)[C@@H](C)[C@]3(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)=C1
InChIKey
InChIKey=OGRGWTXWAZBJKF-JXWJAAHMSA-N
Formula
C39H44O11
Mass
688.77
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
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Subclass
Diterpenoids
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Level 5
Tigliane and ingenane diterpenoids
- Level 6 Phorbol esters
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Level 5
Tigliane and ingenane diterpenoids
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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
Methoxyphenols Tricarboxylic acids and derivatives Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Tertiary alcohols Ketones Cyclic alcohols and derivatives Carboxylic acid esters Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Phorbol ester - Methoxyphenol - Tricarboxylic acid or derivatives - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Monocyclic benzene moiety - Benzenoid - Tertiary alcohol - Cyclic alcohol - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Ether - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Aromatic 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