Compound Identification
SMILES
C[C@@H]1C[C@@H]2[C@H]([C@@H]3C=C(COC(=O)NC4=CC=CC=C4)[C@@H](O)[C@]4(O)[C@@H](OC(=O)C5=CC=CC=C5)C(C)=C[C@@]14C3=O)C2(C)C
InChIKey
InChIKey=XFLNIAPOIHZPBD-NXBFFCPZSA-N
Formula
C34H37NO7
Mass
571.67
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
- 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
Not available
Direct Parent
Tigliane and ingenane diterpenoids
Alternative Parents
Phenylcarbamic acid esters Benzoic acid esters Benzoyl derivatives Tertiary alcohols Carbamate esters Secondary alcohols Ketones Carboxylic acid esters 1,2-diols Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Ingenane diterpenoid - Phenylcarbamic acid ester - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Monocyclic benzene moiety - Benzenoid - Carbamic acid ester - Tertiary alcohol - 1,2-diol - Carboxylic acid ester - Ketone - Secondary alcohol - Carboxylic acid derivative - Alcohol - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxide - 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