Compound Identification
SMILES
C[C@]12CC[C@H]3[C@@H](CCC4=CC(O)=C(CC(=O)C5=CC=C(Cl)C=C5)C=C34)[C@@H]1CC[C@@H]2O
InChIKey
InChIKey=ZXQYWIARHULYEN-IASQOJPJSA-N
Formula
C26H29ClO3
Mass
424.97
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
17-hydroxysteroids 3-hydroxysteroids Stilbenes Phenanthrenes and derivatives Alkyl-phenylketones Tetralins Aryl alkyl ketones Benzoyl derivatives Chlorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Secondary alcohols Cyclic alcohols and derivatives Organic oxides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Estrogen-skeleton - 3-hydroxysteroid - Hydroxysteroid - 17-hydroxysteroid - Phenanthrene - Stilbene - Alkyl-phenylketone - Tetralin - Phenylketone - Benzoyl - Aryl alkyl ketone - Aryl ketone - 1-hydroxy-2-unsubstituted benzenoid - Chlorobenzene - Halobenzene - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Benzenoid - Cyclic alcohol - Ketone - Secondary alcohol - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Alcohol - Organic oxygen compound - 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