Compound Identification
SMILES
C[C@@H]1C=C2C3=C([C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO)C1=C(C=C3)C=C(O)C=C1
InChIKey
InChIKey=SHSVYMSUOYVIBB-VJXHRTBOSA-N
Formula
C21H22O5
Mass
354.402
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
Hydroxysteroids
- Level 5 21-hydroxysteroids
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Subclass
Hydroxysteroids
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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
Hydroxysteroids
Intermediate Tree Nodes
Not available
Direct Parent
21-hydroxysteroids
Alternative Parents
20-oxosteroids Tanshinones, isotanshinones, and derivatives 11-beta-hydroxysteroids 17-hydroxysteroids 3-hydroxy delta-7-steroids Delta-7-steroids Phenanthrols Naphthols and derivatives Tetralins 1-hydroxy-2-unsubstituted benzenoids Alpha-hydroxy ketones Tertiary alcohols Secondary alcohols Polyols Hydrocarbon derivatives Primary alcohols Organic oxides
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
21-hydroxysteroid - 20-oxosteroid - Tanshinone skeleton - 3-hydroxy-delta-7-steroid - 3-hydroxysteroid - 17-hydroxysteroid - 11-hydroxysteroid - 11-beta-hydroxysteroid - Oxosteroid - Delta-7-steroid - Phenanthrol - Phenanthrene - 2-naphthol - Naphthalene - Tetralin - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Alpha-hydroxy ketone - Tertiary alcohol - Secondary alcohol - Ketone - Polyol - Organooxygen compound - Primary alcohol - Hydrocarbon derivative - Organic oxide - Carbonyl group - Alcohol - Organic oxygen compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as 21-hydroxysteroids. These are steroids carrying a hydroxyl group at the 21-position of the steroid backbone.
External Descriptors
Not available