Compound Identification
SMILES
CC(C)(O)CCC(=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=PIGAXYFCLPQWOD-ILFSFOJUSA-N
Formula
C30H44O7
Mass
516.675
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 3-oxo delta-1-steroids 16-alpha-hydroxysteroids 14-alpha-methylsteroids 11-oxosteroids Delta-1-steroids Cyclohexenones Acyloins Tertiary alcohols Alpha-hydroxy ketones Secondary alcohols Cyclic alcohols and derivatives Enols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Triterpenoid - Cucurbitacin skeleton - 25-hydroxysteroid - 22-oxosteroid - 21-oxosteroid - 20-hydroxysteroid - 16-hydroxysteroid - 16-alpha-hydroxysteroid - 3-oxosteroid - Oxosteroid - Hydroxysteroid - 11-oxosteroid - 2-hydroxysteroid - 3-oxo-delta-1-steroid - 14-alpha-methylsteroid - Delta-1-steroid - Cyclohexenone - Acyloin - Alpha-hydroxy ketone - Cyclic alcohol - Tertiary alcohol - Cyclic ketone - Secondary alcohol - Ketone - Enol - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Alcohol - Organooxygen 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:3949 :
cucurbitacin
LIPIDMAPS (LMST01010112) :
Cholesterol and derivatives
KEGG (C08802) :
Cholesterol and derivatives - Cycloartane