Compound Identification
SMILES
C[C@]12CC[C@H]3[C@@H](CCC4=C3C=CC(O)=C4)[C@@H]1CC[C@@]2(O)C#C.CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C
InChIKey
InChIKey=ORKBYCQJWQBPFG-WOMZHKBXSA-N
Formula
C41H52O4
Mass
608.863
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-oxo delta-4-steroids 3-hydroxysteroids 17-hydroxysteroids Delta-4-steroids Phenanthrenes and derivatives Tetralins Cyclohexenones 1-hydroxy-2-unsubstituted benzenoids Ynones Tertiary alcohols Cyclic alcohols and derivatives Acetylides Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Estrogen-skeleton - 3-hydroxysteroid - 3-oxo-delta-4-steroid - 3-oxosteroid - Hydroxysteroid - 17-hydroxysteroid - Oxosteroid - Delta-4-steroid - Phenanthrene - Tetralin - 1-hydroxy-2-unsubstituted benzenoid - Cyclohexenone - Benzenoid - Ynone - Cyclic alcohol - Tertiary alcohol - Ketone - Cyclic ketone - Acetylide - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Alcohol - Organic oxide - 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