Compound Identification
SMILES
CC1(C)COC(CO[N+]([O-])=O)([NH+]1[O-])[C@@]1(O[NH+](O)[O-])[C@@H](CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@H](C[C@]12C)O[N+]([O-])=O)O[N+]([O-])=O
InChIKey
InChIKey=RQEGEBPTEZKJSG-CTBMKFKNSA-N
Formula
C25H34FN5O15
Mass
663.565
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Subclass
Pregnane steroids
Intermediate Tree Nodes
Not available
Direct Parent
Gluco/mineralocorticoids, progestogins and derivatives
Alternative Parents
3-oxo delta-1,4-steroids Halogenated steroids Delta-1,4-steroids Oxazolidines Alkyl nitrates Cyclic ketones Organic nitro compounds Organic nitric acids and derivatives Hemiaminals Disubstituted amine oxides and derivatives Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Alkyl fluorides Organofluorides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Progestogin-skeleton - 3-oxo-delta-1,4-steroid - 3-oxosteroid - 9-halo-steroid - Halo-steroid - Oxosteroid - Delta-1,4-steroid - Alkyl nitrate - Organic nitrate - Oxazolidine - Organic nitro compound - Hemiaminal - Ketone - Organic nitric acid or derivatives - Cyclic ketone - Disubstituted n-oxide - N-oxide - Oxacycle - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Organohalogen compound - Organic salt - Alkyl fluoride - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Alkyl halide - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as gluco/mineralocorticoids, progestogins and derivatives. These are steroids with a structure based on a hydroxylated prostane moiety.
External Descriptors
Not available