Compound Identification
SMILES
C[C@]12CC[C@H]3[C@@H](CCC4=CC(O)=C(C=C34)[N+]([O-])=O)[C@@H]1CC[C@@H]2O
InChIKey
InChIKey=GWIXIEVQSOLTQI-XSSYPUMDSA-N
Formula
C18H23NO4
Mass
317.385
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
17-hydroxysteroids 3-hydroxysteroids Phenanthrenes and derivatives Nitronaphthalenes Tetralins Nitroaromatic compounds 1-hydroxy-2-unsubstituted benzenoids Secondary alcohols Cyclic alcohols and derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic zwitterions Organonitrogen compounds Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Estrogen-skeleton - 3-hydroxysteroid - Hydroxysteroid - 17-hydroxysteroid - Phenanthrene - 2-nitronaphthalene - Tetralin - Nitroaromatic compound - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Cyclic alcohol - Organic nitro compound - Secondary alcohol - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organic zwitterion - Alcohol - Aromatic 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:79530 : 3-hydroxy steroid