Compound Identification
SMILES
CNC(=O)CCCCCCCCCC[C@@H]1CC2=C(C=CC(O)=C2)C2CC[C@@]3(C)C(C=CC3=O)C12
InChIKey
InChIKey=WNXFMMIHLCMMSE-MFNCESDPSA-N
Formula
C30H43NO3
Mass
465.678
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
3-hydroxysteroids 17-oxosteroids Phenanthrenes and derivatives Tetralins 1-hydroxy-2-unsubstituted benzenoids N-acyl amines Secondary carboxylic acid amides Ketones Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Estrogen-skeleton - 3-hydroxysteroid - Hydroxysteroid - 17-oxosteroid - Oxosteroid - Phenanthrene - Tetralin - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Fatty amide - N-acyl-amine - Fatty acyl - Benzenoid - Ketone - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - 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