Compound Identification
SMILES
COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H](CCC3=C[C@@H]4O[C@]33[C@@H]5SCCN5C(=O)C3[C@H]4C(O)=O)C(=C)CC[C@@H]12
InChIKey
InChIKey=WXUXIIFADRQRQQ-DNTOXZTNSA-N
Formula
C28H37NO6S
Mass
515.67
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
Colensane and clerodane diterpenoids
Alternative Parents
Isoindolones Furopyrroles Dicarboxylic acids and derivatives N-alkylpyrrolidines Pyrrolidine-2-ones Dihydrofurans Furans Thiazolidines Tertiary carboxylic acid amides Methyl esters Oxolanes Pyrroles Amino acids Lactams Tertiary amines Carboxylic acids Azacyclic compounds Dialkyl ethers Oxacyclic compounds Dialkylthioethers Thiohemiaminal derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Clerodane diterpenoid - Isoindolone - Isoindoline - Isoindole or derivatives - Furopyrrole - Dicarboxylic acid or derivatives - Pyrrolidone - 2-pyrrolidone - N-alkylpyrrolidine - Dihydrofuran - Furan - Oxolane - Pyrrole - Pyrrolidine - Tertiary carboxylic acid amide - Thiazolidine - Methyl ester - Carboxamide group - Amino acid or derivatives - Lactam - Amino acid - Carboxylic acid ester - Tertiary amine - Azacycle - Oxacycle - Dialkylthioether - Organoheterocyclic compound - Carboxylic acid - Hemithioaminal - Thioether - Carboxylic acid derivative - Ether - Dialkyl ether - Carbonyl group - Organic nitrogen compound - Amine - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as colensane and clerodane diterpenoids. These are diterpenoids with a structure based on the clerodane or the colensane skeleton. Clerodanes arise from labdanes by two methyl migrations.
External Descriptors
Not available