Compound Identification
SMILES
C[C@H](CCC1=NC(C#N)=C(N)O1)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)CC4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C
InChIKey
InChIKey=OHPBWXLHDZTONA-REGAAARSSA-N
Formula
C27H41N3O4
Mass
471.642
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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Class
Steroids and steroid derivatives
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Subclass
Hydroxysteroids
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Level 5
7-hydroxysteroids
- Level 6 7-alpha-hydroxysteroids
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Level 5
7-hydroxysteroids
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Subclass
Hydroxysteroids
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Class
Steroids and steroid derivatives
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Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Subclass
Hydroxysteroids
Intermediate Tree Nodes
7-hydroxysteroids
Direct Parent
7-alpha-hydroxysteroids
Alternative Parents
3-beta-hydroxysteroids 12-hydroxysteroids 2,4,5-trisubstituted oxazoles Heteroaromatic compounds Secondary alcohols Cyclic alcohols and derivatives Polyols Oxacyclic compounds Nitriles Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-hydroxysteroid - 12-hydroxysteroid - 7-alpha-hydroxysteroid - 3-beta-hydroxysteroid - 2,4,5-trisubstituted 1,3-oxazole - Azole - Cyclic alcohol - Heteroaromatic compound - Oxazole - Secondary alcohol - Oxacycle - Carbonitrile - Nitrile - Azacycle - Polyol - Organoheterocyclic compound - Alcohol - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Amine - Primary amine - Organopnictogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 7-alpha-hydroxysteroids. These are steroids carrying a alpha-hydroxyl group at the 7-position of the steroid backbone.
External Descriptors
Not available