Compound Identification
SMILES
OC(=O)\C=C\C(O)=O.C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)CN1CCN(CC2=C(O)C=CC=N2)CC1
InChIKey
InChIKey=NDWFJDKNHJMIKR-ZDQOSSQXSA-N
Formula
C35H45N3O8
Mass
635.758
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
20-oxosteroids 17-hydroxysteroids 3-oxosteroids 2-pyridylmethylamines Aralkylamines Cyclohexenones Hydroxypyridines N-alkylpiperazines Dicarboxylic acids and derivatives Unsaturated fatty acids Heteroaromatic compounds 1,3-aminoalcohols Alpha-hydroxy ketones Alpha-amino ketones Tertiary alcohols Cyclic alcohols and derivatives Trialkylamines Carboxylic acids Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Not available
Substituents
Progestogin-skeleton - 20-oxosteroid - 3-oxosteroid - Hydroxysteroid - Oxosteroid - 17-hydroxysteroid - 2-pyridylmethylamine - Cyclohexenone - Hydroxypyridine - N-alkylpiperazine - Aralkylamine - 1,4-diazinane - Dicarboxylic acid or derivatives - Piperazine - Pyridine - Unsaturated fatty acid - Fatty acyl - Fatty acid - Tertiary alcohol - Alpha-aminoketone - Heteroaromatic compound - Alpha-hydroxy ketone - Cyclic alcohol - 1,3-aminoalcohol - Tertiary aliphatic amine - Tertiary amine - Cyclic ketone - Ketone - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Carboxylic acid - Amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Alcohol - Aromatic 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