Compound Identification
SMILES
CC12CCC3C(CCC4(O)CC(CCC34C=O)OC([O-])=C[N+]#N)C1(O)CCC2C1=CC(=O)OC1
InChIKey
InChIKey=DGUCOLUELMRNRY-UHFFFAOYSA-N
Formula
C25H32N2O7
Mass
472.538
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 Cardenolides 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
Cardenolides and derivatives
Alternative Parents
19-oxosteroids 14-hydroxysteroids Butenolides Tertiary alcohols Enoate esters Cyclic alcohols and derivatives Lactones Oxacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic salts Organic zwitterions Organonitrogen compounds Aldehydes Organic oxides Organopnictogen compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Cardanolide-skeleton - 19-oxosteroid - 14-hydroxysteroid - 5-hydroxysteroid - Hydroxysteroid - Oxosteroid - 2-furanone - Cyclic alcohol - Dihydrofuran - Tertiary alcohol - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Lactone - Organoheterocyclic compound - Carboxylic acid derivative - Oxacycle - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aldehyde - Alcohol - Organic oxygen compound - Carbonyl group - Organic salt - Organic nitrogen compound - Organic zwitterion - 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