Compound Identification
SMILES
CC(C)(CO)N=CC12CCC(O)CC1(O)CCC1C2CCC2(C)C(CCC12O)C1=CC(=O)OC1
InChIKey
InChIKey=UKNMWDWOUPXIEF-UHFFFAOYSA-N
Formula
C27H41NO6
Mass
475.626
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
-
Subclass
Steroid lactones
- Level 5 Cardenolides 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
Cardenolides and derivatives
Alternative Parents
14-hydroxysteroids 3-hydroxysteroids Butenolides Tertiary alcohols Enoate esters Shiff bases Secondary alcohols Lactones Cyclic alcohols and derivatives Propargyl-type 1,3-dipolar organic compounds Polyols Oxacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides Organopnictogen compounds Primary alcohols
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Cardanolide-skeleton - 3-hydroxysteroid - 14-hydroxysteroid - 5-hydroxysteroid - Hydroxysteroid - 2-furanone - Cyclic alcohol - Dihydrofuran - Tertiary alcohol - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Shiff base - Secondary alcohol - Lactone - Carboxylic acid ester - Aldimine - Organoheterocyclic compound - Polyol - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Oxacycle - Primary alcohol - Organic oxide - Alcohol - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Imine - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cardenolides and derivatives. These are steroid lactones containing a furan-2-one moiety linked to the C17 atom of a cyclopenta[a]phenanthrene derivative.
External Descriptors
Not available