Compound Identification
SMILES
C[C@]12CCC3C(CCC4=CC(O)=C(F)C=C34)C1CCC2=O
InChIKey
InChIKey=OOBHNUCKCZMLOG-PEDDLLMLSA-N
Formula
C18H21FO2
Mass
288.362
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-fluorophenols 1-hydroxy-2-unsubstituted benzenoids Aryl fluorides Ketones Organofluorides 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-fluorophenol - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Aryl halide - Aryl fluoride - Ketone - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organohalogen compound - Organofluoride - 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