Compound Identification
SMILES
C[C@]12CCC3C(CCC4=C3C=CC(O)=C4)C1C[C@@H]([18F])[C@@]2(O)C#C
InChIKey
InChIKey=IFDRGXJMFGLUCN-NDRKAAIDSA-N
Formula
C20H23FO2
Mass
313.403
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-hydroxysteroids Phenanthrenes and derivatives Tetralins 1-hydroxy-2-unsubstituted benzenoids Ynones Tertiary alcohols Fluorohydrins Cyclic alcohols and derivatives Acetylides Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Estrogen-skeleton - 3-hydroxysteroid - 16-halo-steroid - Halo-steroid - 17-hydroxysteroid - Hydroxysteroid - Phenanthrene - Tetralin - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Ynone - Cyclic alcohol - Tertiary alcohol - Halohydrin - Fluorohydrin - Acetylide - Organofluoride - Organohalogen compound - Alcohol - Organic oxygen compound - Hydrocarbon derivative - Alkyl halide - Alkyl fluoride - 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