Compound Identification
SMILES
CC(O)C12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CCC2=O
InChIKey
InChIKey=BBQDFHFASLQCAX-DZORAFDKSA-N
Formula
C19H26O3
Mass
302.414
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
18-hydroxysteroids 3-oxo delta-4-steroids 17-oxosteroids Delta-4-steroids Cyclohexenones Secondary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
18-hydroxysteroid - Estrogen-skeleton - 3-oxo-delta-4-steroid - 3-oxosteroid - Oxosteroid - 17-oxosteroid - Hydroxysteroid - Delta-4-steroid - Cyclohexenone - Cyclic ketone - Secondary alcohol - Ketone - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Alcohol - Organic oxide - Aliphatic homopolycyclic 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