Compound Identification
SMILES
C[C@]12CC[C@H]3[C@@H](CCC4=C3C=CC(O)=C4Br)[C@@H]1C[C@H](Br)C2=O
InChIKey
InChIKey=WALNGSHUZXVAOU-MOITUIEZSA-N
Formula
C18H20Br2O2
Mass
428.164
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
Halogenated steroids 3-hydroxysteroids 17-oxosteroids Phenanthrenes and derivatives Tetralins O-bromophenols 1-hydroxy-2-unsubstituted benzenoids Aryl bromides Alpha-haloketones Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Estrogen-skeleton - 3-hydroxysteroid - 16-halo-steroid - 4-halo-steroid - Halo-steroid - Hydroxysteroid - 17-oxosteroid - Oxosteroid - Phenanthrene - Tetralin - 2-halophenol - 2-bromophenol - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Aryl bromide - Aryl halide - Benzenoid - Alpha-haloketone - Ketone - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Carbonyl group - Organooxygen compound - Organobromide - Alkyl halide - Alkyl bromide - 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