Compound Identification
SMILES
C[C@H]1[C@]2(O)CCC3C4CC=C5CC=CC(=O)[C@]5(C)C4C[C@](O)(O[C@]11CC(C)=C(C)C(=O)O1)[C@]23C
InChIKey
InChIKey=DVAOZDXOONOKIG-CELPWSQUSA-N
Formula
C28H36O6
Mass
468.59
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
-
Subclass
Steroid lactones
-
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
Oxosteroids 12-hydroxysteroids 17-hydroxysteroids Naphthopyrans Naphthalenes Cyclohexenones Dihydropyranones Ketals Oxanes Tertiary alcohols Enoate esters Cyclic alcohols and derivatives Lactones Hemiacetals Monocarboxylic acids and derivatives Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Withanolide-skeleton - 12-hydroxysteroid - Hydroxysteroid - 1-oxosteroid - Oxosteroid - 17-hydroxysteroid - Naphthopyran - Naphthalene - Ketal - Dihydropyranone - Cyclohexenone - Oxane - Pyran - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Cyclic alcohol - Tertiary alcohol - Carboxylic acid ester - Hemiacetal - Ketone - Lactone - Oxacycle - Acetal - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Hydrocarbon derivative - Alcohol - Organic oxide - Organic oxygen compound - Carbonyl group - Organooxygen compound - 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