Compound Identification
SMILES
C[C@@H]1[C@@H](OC(=O)C(N(C)C)=C(C)C)[C@]2(OC(C)=O)[C@H]([C@@H]3C=C(CO)C[C@@H]4[C@@H](C=C(C)C4=O)[C@@]13O)C2(C)C
InChIKey
InChIKey=HHIRMXJEGFWTGN-VHQOBAGBSA-N
Formula
C29H41NO7
Mass
515.647
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
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
Alpha amino acids and derivatives Fatty acid esters Dicarboxylic acids and derivatives Tertiary alcohols Enoate esters Trialkylamines Ketones Cyclic alcohols and derivatives Enamines Primary alcohols Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Tigliane diterpenoid - Alpha-amino acid or derivatives - Fatty acid ester - Dicarboxylic acid or derivatives - Fatty acyl - Cyclic alcohol - Tertiary alcohol - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Amino acid or derivatives - Carboxylic acid ester - Ketone - Tertiary amine - Tertiary aliphatic amine - Enamine - Carboxylic acid derivative - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organooxygen compound - Primary alcohol - Hydrocarbon derivative - Amine - Alcohol - 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