Compound Identification
SMILES
CCC\C=C\C=C\C=C\C(=O)OC[C@]1(C)[C@@H]2C[C@@H](C)C34C=C(C)[C@H](O)[C@@]3(O)[C@H](O)C(CO)=C[C@@H]([C@H]12)C4=O
InChIKey
InChIKey=ZHXKANCSLQCPNW-LBIZOPIGSA-N
Formula
C30H40O7
Mass
512.643
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
Fatty acid esters Tertiary alcohols Enoate esters Secondary alcohols Ketones 1,2-diols Monocarboxylic acids and derivatives Primary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Ingenane diterpenoid - Fatty acid ester - Fatty acyl - Tertiary alcohol - Alpha,beta-unsaturated carboxylic ester - Enoate ester - 1,2-diol - Carboxylic acid ester - Ketone - Secondary alcohol - Polyol - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organooxygen compound - Organic oxygen compound - Alcohol - Primary alcohol - Carbonyl group - Organic oxide - Hydrocarbon derivative - Aliphatic 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