Compound Identification
SMILES
CC1CC2C(C3C=C(COC(C)=O)[C@@H](O)[C@]4(O)[C@@H](OC(=O)C5=CC(NC(=O)C6=C(NC(=O)C7=CC=CC=C7N(C)C)C(O)=CC=C6)=CC=C5)C(C)=CC14C3=O)C2(C)C
InChIKey
InChIKey=SKCATJBUGYGTAL-KTDNCFPCSA-N
Formula
C45H49N3O10
Mass
791.898
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
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Class
Prenol lipids
- Subclass Diterpenoids
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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
Not available
Direct Parent
Tigliane and ingenane diterpenoids
Alternative Parents
Benzanilides Oligoanthrilamides Benzoic acid esters Anthranilamides Aminobenzoic acids and derivatives Dialkylarylamines Benzoyl derivatives Aniline and substituted anilines 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Dicarboxylic acids and derivatives Vinylogous amides Tertiary alcohols Secondary carboxylic acid amides Secondary alcohols Ketones Carboxylic acid esters Amino acids and derivatives 1,2-diols Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Ingenane diterpenoid - Benzanilide - Aromatic anilide - Oligoanthrilamide fragment - Anthranilamide - Benzoate ester - Aminobenzoic acid or derivatives - Benzoic acid or derivatives - Benzamide - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Vinylogous amide - Tertiary alcohol - Tertiary amine - Secondary carboxylic acid amide - Secondary alcohol - Ketone - Carboxylic acid ester - Carboxamide group - Amino acid or derivatives - 1,2-diol - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Alcohol - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as tigliane and ingenane diterpenoids. These are diterpenoids containing the tigliane or ingenane carbon skeleton. The tigliane skeleton is a tetracyclic ring that consists of the 4/7/6/3 ring junction. It is derived from casbane by 6,10- and 5,14-cyclizations and is a framework of phorbol. The ingenane skeleton is derived by rearrangement of tigliane.
External Descriptors
Not available