Compound Identification
SMILES
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](CC[C@]34C)OC(=O)CNC(=O)CN)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
InChIKey
InChIKey=XHKRUTRVYSJRGI-QYWLGFMRSA-N
Formula
C27H40N2O6
Mass
488.625
Taxonomic Classification
Taxonomy Tree
-
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
-
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 Peptides 14-hydroxysteroids N-acyl-alpha amino acids and derivatives Alpha amino acid esters Alpha amino acid amides Butenolides Dicarboxylic acids and derivatives Tertiary alcohols Enoate esters Secondary carboxylic acid amides 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 - Alpha peptide - 14-hydroxysteroid - Hydroxysteroid - Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - 2-furanone - Dicarboxylic acid or derivatives - Cyclic alcohol - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary alcohol - Dihydrofuran - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Lactone - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Alcohol - Amine - Primary amine - Organooxygen compound - Organopnictogen compound - Primary aliphatic amine - Organonitrogen 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