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=C(C=C4)N=[N+]=[N-])[C@@H](C)[C@]3(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)=C1
InChIKey
InChIKey=PSSQULFYQOTLBR-IOUVGWHCSA-N
Formula
C39H43N3O11
Mass
729.783
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
Methoxyphenols Tricarboxylic acids and derivatives Phenylazides Phenoxy compounds Anisoles Methoxybenzenes 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Tertiary alcohols Azo compounds Azo imides Carboxylic acid esters Cyclic alcohols and derivatives Ketones Organic oxides Organopnictogen compounds Hydrocarbon derivatives Organic zwitterions
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Phorbol ester - Methoxyphenol - Tricarboxylic acid or derivatives - Anisole - Phenol ether - Phenylazide - Phenoxy compound - Methoxybenzene - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Benzenoid - Monocyclic benzene moiety - Tertiary alcohol - Cyclic alcohol - Azo compound - Azo imide - Carboxylic acid ester - Ketone - Ether - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic zwitterion - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Alcohol - 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