Compound Identification
SMILES
CC1=C(C)C(=O)O[C@H](C1)[C@@H](CO)C1CCC2C3[C@H](O)C=C4[C@@H](O)C=CC(=O)[C@]4(C)C3CC[C@]12C
InChIKey
InChIKey=XDOPVCNDLHDEKW-WHHQCWDJSA-N
Formula
C28H38O6
Mass
470.606
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
-
Subclass
Steroid lactones
- Level 5 Withanolides and derivatives
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Subclass
Steroid lactones
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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
Steroid lactones
Intermediate Tree Nodes
Not available
Direct Parent
Withanolides and derivatives
Alternative Parents
Trihydroxy bile acids, alcohols and derivatives 21-hydroxysteroids Oxosteroids 7-hydroxysteroids Dihydropyranones Cyclohexenones Enoate esters Secondary alcohols Lactones Oxacyclic compounds Monocarboxylic acids and derivatives Primary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Withanolide-skeleton - Trihydroxy bile acid, alcohol, or derivatives - Hydroxy bile acid, alcohol, or derivatives - Bile acid, alcohol, or derivatives - 21-hydroxysteroid - 4-hydroxysteroid - Hydroxysteroid - 1-oxosteroid - Oxosteroid - 7-hydroxysteroid - Cyclohexenone - Dihydropyranone - Pyran - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Secondary alcohol - Lactone - Ketone - Carboxylic acid ester - Organoheterocyclic compound - Carboxylic acid derivative - Oxacycle - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Alcohol - Organooxygen compound - Organic oxygen compound - Carbonyl group - Primary alcohol - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as withanolides and derivatives. These are c28 steroids structurally characterized by an ergostane skeleton usually functionalized at carbons 1, 22 and 26 to form a lactone ring.
External Descriptors
Not available