Compound Identification
SMILES
OC=O.OC(=O)C=C.CC12CC=C3C(CCC4=CC(=O)C=CC34C)C1CCC2C(=O)CN1CCN(CC1)C1=NC(=NC(=C1)N1CCCC1)N1CCCC1
InChIKey
InChIKey=JWJJHUVDKDLMEB-UHFFFAOYSA-N
Formula
C41H56N6O6
Mass
728.935
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-1,4-steroids Delta-1,4-steroids N-arylpiperazines Dialkylarylamines Aminopyrimidines and derivatives N-alkylpiperazines Imidolactams Heteroaromatic compounds Pyrrolidines Alpha-amino ketones Acrylic acids Cyclic ketones Trialkylamines Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides
Molecular Framework
Not available
Substituents
Progestogin-skeleton - 20-oxosteroid - 3-oxo-delta-1,4-steroid - 3-oxosteroid - Oxosteroid - Delta-1,4-steroid - N-arylpiperazine - Dialkylarylamine - Aminopyrimidine - N-alkylpiperazine - 1,4-diazinane - Piperazine - Pyrimidine - Imidolactam - Pyrrolidine - Alpha-aminoketone - Heteroaromatic compound - Acrylic acid - Acrylic acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Cyclic ketone - Ketone - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Amine - Organic nitrogen compound - Organic oxide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen 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