Compound Identification
SMILES
C[C@]12CC[C@H]3[C@@H](CCC4=C(C=O)C(O)=C(Br)C=C34)[C@@H]1CCC2=O
InChIKey
InChIKey=QXAZQEYPCWESLS-RHQBZFHZSA-N
Formula
C19H21BrO3
Mass
377.278
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
Halogenated steroids 3-hydroxysteroids 17-oxosteroids Phenanthrenes and derivatives Tetralins O-bromophenols Aryl-aldehydes Aryl bromides Vinylogous acids Ketones Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Estrogen-skeleton - 3-hydroxysteroid - 2-halo-steroid - Halo-steroid - Hydroxysteroid - Oxosteroid - 17-oxosteroid - Phenanthrene - Tetralin - 2-halophenol - 2-bromophenol - Aryl-aldehyde - Phenol - Benzenoid - Aryl halide - Aryl bromide - Vinylogous acid - Ketone - Organohalogen compound - Aldehyde - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organobromide - Organooxygen compound - 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