Compound Identification
SMILES
CCC1C2CC3C4N(C)C5=CC=CC=C5C44CC(C2C4O)[N+]3(CC(=O)OC2CCC3(C)C(CCC4C3CCC3(C)C(CCC43O)C3=CC(=O)OC3)C2)C1O
InChIKey
InChIKey=KQKIBPHENIYGEF-UHFFFAOYSA-N
Formula
C45H61N2O7
Mass
741.989
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 Beta carbolines Alpha amino acid esters Quinolizidines Dialkylarylamines Quinuclidines Aralkylamines Azepanes Piperidines Benzenoids Dicarboxylic acids and derivatives Butenolides Tetraalkylammonium salts Enoate esters Tertiary alcohols Secondary alcohols Lactones Cyclic alcohols and derivatives Hemiaminals Oxacyclic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds Organic salts Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cardanolide-skeleton - Steroid ester - Sarpagine-skeleton - Hydroxysteroid - 14-hydroxysteroid - Alpha-amino acid ester - Pyridoindole - Beta-carboline - Quinolizidine - Alpha-amino acid or derivatives - Alkaloid or derivatives - Indole or derivatives - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Quinuclidine - Aralkylamine - Azepane - 2-furanone - Dicarboxylic acid or derivatives - Piperidine - Benzenoid - Tertiary alcohol - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tetraalkylammonium salt - Cyclic alcohol - Dihydrofuran - Tertiary amine - Secondary alcohol - Amino acid or derivatives - Carboxylic acid ester - Hemiaminal - Lactone - Organoheterocyclic compound - Azacycle - Alkanolamine - Oxacycle - Carboxylic acid derivative - Organonitrogen compound - Amine - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organic salt - Organic oxide - Organopnictogen compound - Hydrocarbon derivative - Alcohol - Organooxygen compound - Organic cation - 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