Compound Identification
SMILES
C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@H]34)[C@@H]1CCC2=O
InChIKey
InChIKey=UOUIARGWRPHDBX-CQZDKXCPSA-N
Formula
C18H28O2
Mass
276.42
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
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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-alpha-hydroxysteroids 17-oxosteroids Secondary alcohols Ketones Cyclic alcohols and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Estrogen-skeleton - 3-hydroxysteroid - Hydroxysteroid - 3-alpha-hydroxysteroid - 17-oxosteroid - Oxosteroid - Cyclic alcohol - Ketone - Secondary alcohol - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Alcohol - 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
CHEBI:36412 :
17-oxo steroid
LIPIDMAPS (LMST02010042) :
C18 steroids (estrogens) and derivatives