Compound Identification
SMILES
C[C@]12CC[C@H]3[C@@H](CCC4=C(O)C(=O)C(=O)C(O)=C34)[C@@H]1CCC2=O
InChIKey
InChIKey=YSERYFCOUSLOIH-DEJGDCQLSA-N
Formula
C18H20O5
Mass
316.353
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
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Subclass
Estrane steroids
- Level 5 Estrogens and derivatives
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Subclass
Estrane steroids
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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-oxosteroids 17-oxosteroids 1-hydroxysteroids Cyclic ketones Enols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Estrogen-skeleton - 3-oxosteroid - 1-hydroxysteroid - 4-hydroxysteroid - Hydroxysteroid - 2-oxosteroid - Oxosteroid - 17-oxosteroid - Cyclic ketone - Ketone - Enol - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organooxygen compound - 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