Compound Identification
SMILES
CNC1=CC=CC=C1C(=O)OC1C(C)C2(O)C3C=C(C)C(=O)C3(O)CC(CO)=CC2C2C(C)(C)C12OC(C)=O
InChIKey
InChIKey=UPAIGGMQTARRMN-UHFFFAOYSA-N
Formula
C30H37NO8
Mass
539.625
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
Aminobenzoic acids and derivatives Benzoic acid esters Aniline and substituted anilines Benzoyl derivatives Phenylalkylamines Secondary alkylarylamines Dicarboxylic acids and derivatives Vinylogous amides Tertiary alcohols Ketones Cyclic alcohols and derivatives Carboxylic acid esters Amino acids and derivatives Organopnictogen compounds Organic oxides Hydrocarbon derivatives Primary alcohols
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Phorbol ester - Aminobenzoic acid or derivatives - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Phenylalkylamine - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Vinylogous amide - Tertiary alcohol - Cyclic alcohol - Amino acid or derivatives - Ketone - Carboxylic acid ester - Secondary amine - Carboxylic acid derivative - Primary alcohol - Amine - Organonitrogen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Alcohol - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - 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