Compound Identification
SMILES
CC(=O)[C@H]1CC[C@H]2[C@@H]3[C@@H](CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)NCC#CCN1C=NC2=C1N=CN=C2N
InChIKey
InChIKey=YIFKHCXUTMLFCN-OAHLZKGISA-N
Formula
C31H38N6O3
Mass
542.684
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 3-oxo delta-4-steroids Delta-4-steroids Naphthalenecarboxamides 6-aminopurines Aminopyrimidines and derivatives Cyclohexenones N-substituted imidazoles Imidolactams Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Primary amines Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Progestogin-skeleton - 20-oxosteroid - 3-oxo-delta-4-steroid - Oxosteroid - 3-oxosteroid - Delta-4-steroid - 2-naphthalenecarboxamide - 1-naphthalenecarboxamide - 6-aminopurine - Purine - Imidazopyrimidine - Aminopyrimidine - Cyclohexenone - Imidolactam - N-substituted imidazole - Pyrimidine - Heteroaromatic compound - Azole - Imidazole - Amino acid or derivatives - Carboxamide group - Cyclic ketone - Secondary carboxylic acid amide - Ketone - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organic oxide - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Amine - Primary amine - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - 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