Compound Identification
SMILES
COC(=O)C(CCSC)NC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CC[C@]13C=C(C(C)C)[C@H](C[C@H]21)[C@H]1[C@H](CCC(=O)[C@@H]31)OC(=O)CCC(O)=O
InChIKey
InChIKey=OYTUZUSUAAMIIY-OXFPIBPNSA-N
Formula
C36H53NO8S
Mass
659.88
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
Villanovane, atisane, trachylobane or helvifulvane diterpenoids
Direct Parent
Atisane diterpenoids
Alternative Parents
Methionine and derivatives Alpha amino acid esters N-acyl-alpha amino acids and derivatives Naphthalenecarboxamides Tricarboxylic acids and derivatives Alkaloids and derivatives Fatty acid esters Methyl esters Ketones Secondary carboxylic acid amides Sulfenyl compounds Dialkylthioethers Carboxylic acids Organonitrogen compounds Hydrocarbon derivatives Organopnictogen compounds Organic oxides
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Atisane diterpenoid - Methionine or derivatives - Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - 1-naphthalenecarboxamide - Alpha-amino acid or derivatives - Alkaloid or derivatives - Tricarboxylic acid or derivatives - Fatty acid ester - Fatty acyl - Methyl ester - Carboxamide group - Carboxylic acid ester - Ketone - Secondary carboxylic acid amide - Dialkylthioether - Carboxylic acid - Carboxylic acid derivative - Thioether - Sulfenyl compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Carbonyl group - Organosulfur compound - Organopnictogen compound - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as atisane diterpenoids. These are diterpenoids with a structure based on the atisane skeleton, which is a tetracyclic compound containing the [2,2,2]bicyc1ic ring system with the C15-C16 bridge attached at C12.
External Descriptors
Not available