Compound Identification
SMILES
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](CC[C@]34C)SCCCN3CCNCC3)[C@@H]1CC[C@@H]2C1=CC(=O)OC1
InChIKey
InChIKey=VORVQOIJZSPHCC-ZJKJMQNJSA-N
Formula
C30H48N2O2S
Mass
500.79
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
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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
N-alkylpiperazines Butenolides Enoate esters Trialkylamines Lactones Amino acids and derivatives Sulfenyl compounds Oxacyclic compounds Monocarboxylic acids and derivatives Dialkylthioethers Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Cardanolide-skeleton - N-alkylpiperazine - 2-furanone - 1,4-diazinane - Piperazine - Dihydrofuran - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Lactone - Tertiary amine - Tertiary aliphatic amine - Amino acid or derivatives - Thioether - Dialkylthioether - Secondary amine - Oxacycle - Sulfenyl compound - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Secondary aliphatic amine - Carbonyl group - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organosulfur compound - Hydrocarbon derivative - Amine - 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