Withaferin A

Basic Information


CAS ID: 5119-48-2
Molecular Formula: C28H38O6
Molecular Weight: 470.6 g/mol
Monoisotopic Mass: 470.2668 g/mol
Class: Small Molecule
Natural Product: Yes
Other Names:
Analysis: Drug repositioning mechanism analysis

OH O O O OH O


Compound Structure and Identifier


InChI: InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1 See All
InChI Key: DBRXOUCRJQVYJQ-CKNDUULBSA-N
Smiles: C[C@H]([C@H]1CC(=C(CO)C(=O)O1)C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C See All
Molfile: Download


Related Target



Related Fibrosis Property


Reference Record 1

PubMed ID 22900077 Target ID
Uniprot ID Name
Model vitro,mice Fibrosis Disease Cardiac fibrosis
Process I
Process II cells apoptosis
Process III prevenet collagen deposition
Mechanism

Reference Record 2

PubMed ID 22900077 Target ID
Uniprot ID Name
Model vitro,mice Fibrosis Disease Liver fibrosis
Process I
Process II HSCs activation
Process III
Mechanism

Reference Record 3

PubMed ID 19439083 Target ID
Uniprot ID Name
Model Fibrosis Disease Cystic fibrosis
Process I attenue inflammation
Process II
Process III
Mechanism

Related Link


PubChem: 265237
ChEMBL: CHEMBL517080