Compound Identification
SMILES
CCC1C2CC3C4N(C)C5=C(C=CC=C5)C44CC(C2C4O)[N]3(CC(=O)OC2CCC3(C)C(CCC4C3CCC3(C)C(CCC43O)C3=CC(=O)OC3)C2)C1O
InChIKey
InChIKey=LMPMKEYSYMTMSP-UHFFFAOYSA-N
Formula
C45H61N2O7
Mass
741.99
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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
-
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 Ajmaline-sarpagine alkaloids 14-hydroxysteroids Alpha amino acid esters Beta carbolines Quinolizidines Quinuclidines Dialkylarylamines Aralkylamines Azepanes Piperidines Benzenoids Butenolides Dicarboxylic acids and derivatives Tertiary alcohols Enoate esters Hemiaminals Lactones Cyclic alcohols and derivatives Secondary alcohols Azacyclic compounds Oxacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cardanolide-skeleton - Steroid ester - Sarpagine-skeleton - 14-hydroxysteroid - Hydroxysteroid - Alpha-amino acid ester - Beta-carboline - Pyridoindole - Alpha-amino acid or derivatives - Quinolizidine - Indole or derivatives - Alkaloid or derivatives - Tertiary aliphatic/aromatic amine - Quinuclidine - Dialkylarylamine - Azepane - Aralkylamine - Benzenoid - Dicarboxylic acid or derivatives - 2-furanone - Piperidine - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Cyclic alcohol - Tertiary alcohol - Dihydrofuran - Tertiary amine - Lactone - Hemiaminal - Amino acid or derivatives - Secondary alcohol - Carboxylic acid ester - Alkanolamine - Oxacycle - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Amine - Carbonyl group - Organic oxygen compound - Organopnictogen 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