Compound Identification
SMILES
CO[C@@H]1CC[C@H]2[C@@H]3C=CC4=C(O)C(O)C=C[C@@H]4[C@H]3CC[C@]12C
InChIKey
InChIKey=ODQNJOTUXGHJGQ-SIMYAGOXSA-N
Formula
C19H26O3
Mass
302.414
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-hydroxy delta-1,4-steroids Delta-1,4-steroids Secondary alcohols Enols Dialkyl ethers Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Estrogen-skeleton - Hydroxysteroid - 4-hydroxysteroid - 3-hydroxysteroid - 3-hydroxy-delta-1,4-steroid - Delta-1,4-steroid - Secondary alcohol - Ether - Enol - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - 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