Compound Identification
SMILES
CC(=O)OC(C)(C)\C=C\C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C=C(O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
InChIKey
InChIKey=NDYMQXYDSVBNLL-MUYMLXPFSA-N
Formula
C32H44O8
Mass
556.696
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
- Subclass Cucurbitacins
-
Class
Steroids and steroid derivatives
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Subclass
Cucurbitacins
Intermediate Tree Nodes
Not available
Direct Parent
Cucurbitacins
Alternative Parents
Triterpenoids Steroid esters 11-oxosteroids 14-alpha-methylsteroids 16-alpha-hydroxysteroids 3-oxo delta-1-steroids Delta-1-steroids Cyclohexenones Acyloins Enones Alpha-hydroxy ketones Tertiary alcohols Acryloyl compounds Cyclic alcohols and derivatives Carboxylic acid esters Secondary alcohols Monocarboxylic acids and derivatives Enols Hydrocarbon derivatives Organic oxides
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Cucurbitacin skeleton - Triterpenoid - 22-oxosteroid - 21-oxosteroid - 20-hydroxysteroid - Steroid ester - 2-hydroxysteroid - 16-hydroxysteroid - 16-alpha-hydroxysteroid - 14-alpha-methylsteroid - Hydroxysteroid - 3-oxo-delta-1-steroid - Oxosteroid - 11-oxosteroid - 3-oxosteroid - Delta-1-steroid - Cyclohexenone - Acyloin - Alpha-hydroxy ketone - Cyclic alcohol - Enone - Tertiary alcohol - Alpha,beta-unsaturated ketone - Acryloyl-group - Cyclic ketone - Secondary alcohol - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Enol - Hydrocarbon derivative - Carbonyl group - Organic oxide - Alcohol - Organooxygen compound - Organic oxygen compound - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as cucurbitacins. These are polycyclic compounds containing the tetracyclic cucurbitane nucleus skeleton, 19-(10->9b)-abeo-10alanost-5-ene (also known as 9b-methyl-19-nor lanosta-5-ene), with a variety of oxygenation functionalities at different positions.
External Descriptors
CHEBI:3944 :
cucurbitacin
LIPIDMAPS (LMST01010107) :
Cholesterol and derivatives
KEGG (C08797) :
Cholesterol and derivatives - Cycloartane