Compound Identification
SMILES
CCCCN(C)C(=O)CCCCCC[C@@H]1C[C@H]2[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]2C2=CC(OC)=C(O)C=C12
InChIKey
InChIKey=VAHNHBVWTBXUIO-LAPRBBLPSA-N
Formula
C31H49NO4
Mass
499.736
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
17-hydroxysteroids 3-hydroxysteroids Phenanthrenes and derivatives Tetralins Anisoles 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers N-acyl amines Tertiary carboxylic acid amides Cyclic alcohols and derivatives Secondary alcohols Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Estrogen-skeleton - 3-hydroxysteroid - 17-hydroxysteroid - Hydroxysteroid - Phenanthrene - Tetralin - Anisole - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Benzenoid - N-acyl-amine - Cyclic alcohol - Tertiary carboxylic acid amide - Carboxamide group - Secondary alcohol - Ether - Carboxylic acid derivative - Alcohol - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organooxygen 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