Compound Identification
SMILES
[H]C12CCC(=O)C1(C)CC([H])(ON(=O)=O)C1(O)C3=CC=C(O)C=C3CCC21[H]
InChIKey
InChIKey=QKNRTYSNSQAVCD-UHFFFAOYSA-N
Formula
C18H21NO6
Mass
347.367
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-hydroxysteroids 17-oxosteroids Phenanthrenes and derivatives Tetralins 1-hydroxy-2-unsubstituted benzenoids Tertiary alcohols Alkyl nitrates Organic nitro compounds Organic nitric acids and derivatives Ketones Cyclic alcohols and derivatives Organic zwitterions Organic oxides Organic nitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Estrogen-skeleton - Oxosteroid - 17-oxosteroid - Hydroxysteroid - 3-hydroxysteroid - Phenanthrene - Tetralin - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Alkyl nitrate - Tertiary alcohol - Organic nitrate - Cyclic alcohol - Organic nitro compound - Organic nitric acid or derivatives - Ketone - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organooxygen compound - Carbonyl group - 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
Not available