Compound Identification
SMILES
CC1C[C@H]2[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)C3O[C@H]3C(=O)C(NC(C)=O)=C12
InChIKey
InChIKey=NOVVCXSVXDAEMD-NAUNKBMGSA-N
Formula
C22H29NO4
Mass
371.477
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
1,2-epoxy-3-oxosteroids 3-oxo delta-4-steroids 17-oxosteroids Delta-4-steroids Cyclohexenones Acetamides Secondary carboxylic acid amides Oxacyclic compounds Epoxides Dialkyl ethers Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Estrogen-skeleton - 1,2-epoxy-3-oxo-steroid - 3-oxo-delta-4-steroid - 3-oxosteroid - 17-oxosteroid - Oxosteroid - Delta-4-steroid - Cyclohexenone - Acetamide - Secondary carboxylic acid amide - Carboxamide group - Ketone - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Oxirane - Ether - Oxacycle - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aliphatic heteropolycyclic 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