Compound Identification
SMILES
C[C@@H]1C[C@@H]2[C@H]([C@@H]3C=C(CO)[C@@H](O)[C@]4(O)[C@@H](OC(=O)C5=CC=CC=C5NC(=O)C5=C(NC(=O)C6=CC=CC=C6N(C)C)C(O)=CC=C5)C(C)=C[C@@]14C3=O)C2(C)C
InChIKey
InChIKey=NWUXCAUIAMSMJQ-IYVCBSORSA-N
Formula
C43H47N3O9
Mass
749.861
Taxonomic Classification
Taxonomy Tree
-
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 Anthranilamides Benzoic acid esters Aminobenzoic acids and derivatives Aniline and substituted anilines Benzoyl derivatives Dialkylarylamines 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Tertiary alcohols Vinylogous amides Amino acids and derivatives Carboxylic acid esters Secondary alcohols Secondary carboxylic acid amides Ketones Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organopnictogen compounds Primary alcohols
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Ingenane diterpenoid - Benzanilide - Oligoanthrilamide fragment - Aromatic anilide - Anthranilamide - Benzoate ester - Aminobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - 1-hydroxy-4-unsubstituted benzenoid - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Benzenoid - Tertiary alcohol - Vinylogous amide - Secondary carboxylic acid amide - Secondary alcohol - Ketone - Carboxylic acid ester - Carboxamide group - Amino acid or derivatives - Tertiary amine - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Alcohol - Organonitrogen compound - Carbonyl group - Organooxygen compound - Primary alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - 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