Compound Identification
SMILES
C[C@]12CC[C@H]3[C@@H](CCC4=C3C=CC(O)=C4)[C@@H]1CC(=CC1=CC=C(C=C1)C#N)C2=O
InChIKey
InChIKey=LUKDNWYHZQGYSX-BIATYSSJSA-N
Formula
C26H25NO2
Mass
383.491
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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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
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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
3-hydroxysteroids 17-oxosteroids Phenanthrenes and derivatives Tetralins Benzonitriles 1-hydroxy-2-unsubstituted benzenoids Ketones Nitriles Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Estrogen-skeleton - 3-hydroxysteroid - Hydroxysteroid - 17-oxosteroid - Oxosteroid - Phenanthrene - Tetralin - Benzonitrile - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Monocyclic benzene moiety - Ketone - Carbonitrile - Nitrile - Hydrocarbon derivative - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Cyanide - Organic oxygen compound - Organonitrogen 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