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)C4=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=IMIWUIFNGWDRQW-HAXZFOHVSA-N
Formula
C38H41N3O11
Mass
715.756
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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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 Benzoic acid esters Tricarboxylic acids and derivatives Phenylazides Phenoxy compounds Anisoles Methoxybenzenes Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Tertiary alcohols Azo compounds Azo imides Ketones Carboxylic acid esters Cyclic alcohols and derivatives Organic oxides Hydrocarbon derivatives Organopnictogen compounds Organic zwitterions
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Phorbol ester - Methoxyphenol - Benzoate ester - Benzoic acid or derivatives - Tricarboxylic acid or derivatives - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Phenylazide - Phenol ether - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Cyclic alcohol - Tertiary alcohol - Azo compound - Ketone - Azo imide - Carboxylic acid ester - Ether - Carboxylic acid derivative - Alcohol - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen 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