Compound Identification
SMILES
C[C@]12CC[C@H]3[C@@H](CCC4=C3C=CC(O)=C4)[C@@H]1C[C@@H]([C@H]2O)N1C=NC(=C1)[N+]([O-])=O
InChIKey
InChIKey=LJSVQTUKBBSZNS-CYGZGYCASA-N
Formula
C21H25N3O4
Mass
383.448
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
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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-hydroxysteroids Phenanthrenes and derivatives Tetralins Nitroimidazoles Nitroaromatic compounds 1-hydroxy-2-unsubstituted benzenoids N-substituted imidazoles Imidolactams Heteroaromatic compounds Secondary alcohols Cyclic alcohols and derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Formamidines Carboximidamides Azacyclic compounds Organopnictogen compounds Organic zwitterions Organic oxoanionic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Estrogen-skeleton - 17-hydroxysteroid - Hydroxysteroid - 3-hydroxysteroid - Phenanthrene - Tetralin - Nitroaromatic compound - Nitroimidazole - 1-hydroxy-2-unsubstituted benzenoid - Imidolactam - Benzenoid - N-substituted imidazole - Heteroaromatic compound - Imidazole - Cyclic alcohol - Azole - Organic nitro compound - Secondary alcohol - C-nitro compound - Formamidine - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboximidamide - Organic oxoazanium - Amidine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organic hyponitrite - Alcohol - Aromatic heteropolycyclic 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