Compound Identification
SMILES
C[C@]1(O)CC[C@H]2[C@@H]3CC=C4C5(CC5)C(=O)[C@@H](C[C@]4(C)[C@H]3CC[C@]12C)C#N
InChIKey
InChIKey=DKJRYSHVLUXLSD-YSFZIFSESA-N
Formula
C23H31NO2
Mass
353.506
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
3-oxo delta-5-steroids 17-hydroxysteroids Delta-5-steroids Tertiary alcohols Ketones Cyclic alcohols and derivatives Nitriles Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Estrogen-skeleton - 17-hydroxysteroid - Oxosteroid - Hydroxysteroid - 3-oxosteroid - 3-oxo-delta-5-steroid - Delta-5-steroid - Tertiary alcohol - Cyclic alcohol - Ketone - Nitrile - Carbonitrile - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Alcohol - Aliphatic 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