Compound Identification
SMILES
CCC1C2CC3C4N(C)C5=C(C=CC=C5)C44CC(C2C4O)[N]3(CC(=O)OC2CCC3(C=O)C4CCC5(C)C(CCC5(O)C4CCC3(O)C2)C2=CC(=O)OC2)C1O
InChIKey
InChIKey=DSLYQFANACEPSF-UHFFFAOYSA-N
Formula
C45H59N2O9
Mass
771.972
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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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
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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 19-oxosteroids Ajmaline-sarpagine alkaloids 14-hydroxysteroids Beta carbolines Alpha amino acid esters Quinolizidines Quinuclidines Dialkylarylamines Aralkylamines Azepanes Benzenoids Piperidines Butenolides Dicarboxylic acids and derivatives Tertiary alcohols Enoate esters Cyclic alcohols and derivatives Lactones Secondary alcohols Hemiaminals Oxacyclic compounds Azacyclic compounds Aldehydes Organic oxides Hydrocarbon derivatives Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cardanolide-skeleton - Steroid ester - Sarpagine-skeleton - 19-oxosteroid - Oxosteroid - Hydroxysteroid - 5-hydroxysteroid - 14-hydroxysteroid - Pyridoindole - Alpha-amino acid ester - Beta-carboline - Quinolizidine - Alpha-amino acid or derivatives - Indole or derivatives - Alkaloid or derivatives - Tertiary aliphatic/aromatic amine - Quinuclidine - Dialkylarylamine - Azepane - Aralkylamine - Benzenoid - 2-furanone - Dicarboxylic acid or derivatives - Piperidine - Dihydrofuran - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Cyclic alcohol - Tertiary alcohol - Hemiaminal - Tertiary amine - Lactone - Carboxylic acid ester - Amino acid or derivatives - Secondary alcohol - Alkanolamine - Oxacycle - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Aldehyde - Alcohol - Hydrocarbon derivative - Organic oxide - Amine - Organopnictogen compound - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Aromatic 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