Compound Identification
SMILES
C[C@@H](N)C(=O)OC12CC[C@H](C3=CC(=O)OC3)[C@@]1(C)CC[C@H]1[C@H]2CCC2CC(O)CC[C@]12C
InChIKey
InChIKey=WNXQKMQRLMCQAB-SNRKHKAVSA-N
Formula
C26H39NO5
Mass
445.6
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
Steroid esters 3-hydroxysteroids Alpha amino acid esters Alanine and derivatives Butenolides Dicarboxylic acids and derivatives Enoate esters Secondary alcohols Lactones Cyclic alcohols and derivatives Oxacyclic compounds Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Organopnictogen compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Cardanolide-skeleton - Steroid ester - 3-hydroxysteroid - Hydroxysteroid - Alpha-amino acid ester - Alanine or derivatives - Alpha-amino acid or derivatives - 2-furanone - Dicarboxylic acid or derivatives - Cyclic alcohol - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Dihydrofuran - Amino acid or derivatives - Carboxylic acid ester - Secondary alcohol - Lactone - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Primary amine - Hydrocarbon derivative - Alcohol - Carbonyl group - Organic oxide - Organic nitrogen compound - Amine - Organopnictogen compound - Organic oxygen compound - Primary aliphatic amine - 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