Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

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

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

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