Compound Identification
SMILES
C[C@@]12CCC[C@H]1C1=C(C(=O)C2)C2=C(C=C1)C=C(O)C=C2
InChIKey
InChIKey=VPQIWSGBKBBXAH-YJBOKZPZSA-N
Formula
C18H18O2
Mass
266.34
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
3-hydroxy delta-7-steroids 11-oxosteroids Delta-7-steroids Phenanthrols Naphthols and derivatives Tetralins Aryl alkyl ketones Cyclohexenones 1-hydroxy-2-unsubstituted benzenoids Alpha-branched alpha,beta-unsaturated ketones Enones Acryloyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Estrogen-skeleton - Oxosteroid - 11-oxosteroid - Hydroxysteroid - 3-hydroxysteroid - 3-hydroxy-delta-7-steroid - Delta-7-steroid - Phenanthrol - Phenanthrene - 2-naphthol - Tetralin - Naphthalene - Aryl alkyl ketone - Aryl ketone - 1-hydroxy-2-unsubstituted benzenoid - Cyclohexenone - Alpha-branched alpha,beta-unsaturated-ketone - Benzenoid - Alpha,beta-unsaturated ketone - Enone - Acryloyl-group - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen 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