Ouabain

Basic Information


CAS ID: 630-60-4
Molecular Formula: C29H44O12
Molecular Weight: 584.7 g/mol
Monoisotopic Mass: 584.2833 g/mol
Class: Small Molecule
Natural Product: No
Other Names: G-STROPHANTHIN | OUABAINE ARNAUD | STRODIVAL | NSC-25485 | OUABAIN
Analysis: Drug repositioning mechanism analysis

O O OH OH OH OH OH O O OH HO OH


Compound Structure and Identifier


InChI: InChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13-,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-/m0/s1 See All
InChI Key: LPMXVESGRSUGHW-HBYQJFLCSA-N
Smiles: C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C6=CC(=O)OC6)[C@H](O)[C@H](O)[C@H]1O See All
Molfile: Download


Related Target



Related Fibrosis Property


Reference Record 1

PubMed ID 27217195 Target ID
Uniprot ID Name
Model vitro,rat Fibrosis Disease Renal fibrosis
Process I
Process II
Process III prevenet collagen deposition
Mechanism

Related Link


PubChem: 439501
ChEMBL: CHEMBL222863