Compound Identification
SMILES
CC12CCC3C(CCC4=C(Br)C(O)=C(Br)C=C34)C1CCC2O
InChIKey
InChIKey=UTXNYGUZJLLOSP-UHFFFAOYSA-N
Formula
C18H22Br2O2
Mass
430.18
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
-
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-hydroxysteroids Phenanthrenes and derivatives Tetralins O-bromophenols Aryl bromides Secondary alcohols Cyclic alcohols and derivatives Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Estrogen-skeleton - 3-hydroxysteroid - 17-hydroxysteroid - 2-halo-steroid - 4-halo-steroid - Hydroxysteroid - Halo-steroid - Phenanthrene - Tetralin - 2-bromophenol - Aryl bromide - Benzenoid - Aryl halide - Cyclic alcohol - Secondary alcohol - Organobromide - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Alcohol - Organohalogen 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