Compound Identification
SMILES
CCC12CCC3C(CCC4=CC(=O)CCC34)C1CC(O)C2(O)C#C
InChIKey
InChIKey=CPLFYDXNDVOJDT-UHFFFAOYSA-N
Formula
C21H28O3
Mass
328.452
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
-
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-oxo delta-4-steroids 17-hydroxysteroids 16-hydroxysteroids Delta-4-steroids Cyclohexenones Ynones Tertiary alcohols Secondary alcohols Cyclic alcohols and derivatives 1,2-diols Acetylides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Estrogen-skeleton - 3-oxo-delta-4-steroid - 3-oxosteroid - Hydroxysteroid - 17-hydroxysteroid - 16-hydroxysteroid - Oxosteroid - Delta-4-steroid - Cyclohexenone - Ynone - Cyclic alcohol - Tertiary alcohol - Ketone - Cyclic ketone - 1,2-diol - Secondary alcohol - Acetylide - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Alcohol - Organic oxygen compound - 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