Compound Identification
SMILES
CC(C)(O)[C@@H]1CC[C@](C)(O1)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
InChIKey
InChIKey=DJFUSGZOFOKWFY-HVNJZMCDSA-N
Formula
C30H48O4
Mass
472.71
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
- Subclass Cucurbitacins
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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-beta-hydroxysteroids 3-beta-hydroxy delta-5-steroids 14-alpha-methylsteroids 11-oxosteroids Delta-5-steroids Tetrahydrofurans Tertiary alcohols Secondary alcohols Ketones Cyclic alcohols and derivatives Oxacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Cucurbitacin skeleton - Triterpenoid - 3-hydroxy-delta-5-steroid - 3-hydroxysteroid - Hydroxysteroid - 11-oxosteroid - Oxosteroid - 3-beta-hydroxy-delta-5-steroid - 3-beta-hydroxysteroid - 14-alpha-methylsteroid - Delta-5-steroid - Tertiary alcohol - Cyclic alcohol - Tetrahydrofuran - Secondary alcohol - Ketone - Oxacycle - Organoheterocyclic compound - Dialkyl ether - Ether - Organic oxide - Organic oxygen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Alcohol - Aliphatic heteropolycyclic 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:5540 :
triterpenoid saponin
KEGG (C08808) :
Triterpenoids (C30)