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CHEBI:31319 - bufogenin

ChEBI IDCHEBI:31319
ChEBI Namebufogenin
Stars
DefinitionA steroid lactone of Chan su (toad venom), a Chinese medicine obtained from the skin venom gland of toads. A specific Na/K-ATPase protein inhibitor, it is used as a cardiotonic and central nervous system (CNS) respiratory agent, an analgesic and anesthetic, and as a remedy for ulcers.
Last Modified17 February 2020
DownloadsMolfile
FormulaC24H32O4
Net Charge0
Average Mass384.516
Monoisotopic Mass384.23006
SMILES[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@@H](c5ccc(=O)oc5)C[C@H]5O[C@@]534)[C@@]1(C)CC[C@H](O)C2
InChIInChI=1S/C24H32O4/c1-22-9-7-16(25)11-15(22)4-5-18-17(22)8-10-23(2)19(12-20-24(18,23)28-20)14-3-6-21(26)27-13-14/h3,6,13,15-20,25H,4-5,7-12H2,1-2H3/t15-,16+,17+,18-,19-,20-,22+,23-,24-/m1/s1
InChIKeyATLJNLYIJOCWJE-CWMZOUAVSA-N
Roles Classification
Biological Role:
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor  An EC 3.6.3.* (acid anhydride hydrolase catalysing transmembrane movement of substances) inhibitor that interferes with the action of Na+/K+-transporting ATPase (EC 3.6.3.9).
ChEBI Ontology
Outgoing Relation(s)
bufogenin (CHEBI:31319) has functional parent bufanolide (CHEBI:22934)
bufogenin (CHEBI:31319) has role EC 3.6.3.9 (Na+/K+-transporting ATPase) inhibitor (CHEBI:63510)
bufogenin (CHEBI:31319) is a epoxy steroid (CHEBI:145217)
bufogenin (CHEBI:31319) is a steroid lactone (CHEBI:26766)
IUPAC Name 
3β-hydroxy-5β,15β-14,15-epoxybufa-20,22-dienolide
INNs  Source
bufogeninaWHO MedNet
bufogeninWHO MedNet
bufogeninumWHO MedNet
bufogénineWHO MedNet
Synonyms  Source
BufogeninKEGG COMPOUND
BufogeinKEGG COMPOUND
resibufogeninDrugCentral
respigonDrugCentral
Manual XrefsDatabases
C17058KEGG COMPOUND
D01378KEGG DRUG
3523DrugCentral
Registry NumbersSources
CAS:465-39-4KEGG COMPOUND
CAS:465-39-4ChemIDplus
Citations