Compound Identification
SMILES
OC(C#C)C12CCCC1C1CCC3=CC(=O)CC[C@@H]3C1CC2
InChIKey
InChIKey=IZGXVVBRWLAGSV-ZZRKNQPCSA-N
Formula
C20H26O2
Mass
298.426
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
18-hydroxysteroids 3-oxo delta-4-steroids Delta-4-steroids Cyclohexenones Secondary alcohols Acetylides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
18-hydroxysteroid - Estrogen-skeleton - 3-oxo-delta-4-steroid - 3-oxosteroid - Oxosteroid - Hydroxysteroid - Delta-4-steroid - Cyclohexenone - Cyclic ketone - Secondary alcohol - Ketone - Acetylide - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Alcohol - Organic oxide - 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