Compound Identification
SMILES
CCC1=C(O)C=C2CCC3C4[C@H](CCCC(=O)NC5=NC=C(C)S5)CC(=O)[C@@]4(C)CCC3C2=C1
InChIKey
InChIKey=KGYJKPJMOXYPPL-BWUNHEHZSA-N
Formula
C28H36N2O3S
Mass
480.67
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
-
Subclass
Estrane steroids
- Level 5 Estrogens and derivatives
-
Subclass
Estrane steroids
-
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
Estrane steroids
Intermediate Tree Nodes
Not available
Direct Parent
Estrogens and derivatives
Alternative Parents
3-hydroxysteroids 17-oxosteroids Phenanthrenes and derivatives Tetralins N-arylamides 2,5-disubstituted thiazoles 1-hydroxy-2-unsubstituted benzenoids Fatty amides Heteroaromatic compounds Secondary carboxylic acid amides Ketones Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Estrogen-skeleton - 3-hydroxysteroid - Hydroxysteroid - 17-oxosteroid - Oxosteroid - Phenanthrene - Tetralin - N-arylamide - Phenol - 2,5-disubstituted 1,3-thiazole - 1-hydroxy-2-unsubstituted benzenoid - Fatty acyl - Benzenoid - Fatty amide - Heteroaromatic compound - Azole - Thiazole - Secondary carboxylic acid amide - Carboxamide group - Ketone - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organic oxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as estrogens and derivatives. These are steroids with a structure containing a 3-hydroxylated estrane.
External Descriptors
Not available