Compound Identification
SMILES
COCC1=C(C)CC(OC1=O)C(CO)C1CCC2C3CC=C4CC=CC(=O)[C@]4(C)C3CC[C@]12C
InChIKey
InChIKey=IJXBMSZEDRDWOR-UCQVJLHTSA-N
Formula
C29H40O5
Mass
468.634
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
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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
Monohydroxy bile acids, alcohols and derivatives 21-hydroxysteroids Oxosteroids Dihydropyranones Cyclohexenones Enoate esters Lactones Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Primary alcohols Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Withanolide-skeleton - Hydroxy bile acid, alcohol, or derivatives - Monohydroxy bile acid, alcohol, or derivatives - Bile acid, alcohol, or derivatives - 21-hydroxysteroid - Hydroxysteroid - Oxosteroid - 1-oxosteroid - Cyclohexenone - Dihydropyranone - Pyran - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Ketone - Lactone - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Aldehyde - Organic oxide - Organic oxygen compound - Carbonyl group - Primary alcohol - Organooxygen compound - 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