Rutin

Basic Information

CAS ID: 153-18-4
Molecular Formula: C27H30O16
Molecular Weight: 610.5 g/mol
Monoisotopic Mass: 610.1534 g/mol
Class: Small Molecule
Natural Product: Yes
Other Names: NSC-9220 | RUTOSIDE | RUTIN | NSC-115918
Analysis: Drug repositioning mechanism analysis

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

Compound Structure and Identifier

InChI: InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1 See All
InChI Key: IKGXIBQEEMLURG-NVPNHPEKSA-N
Smiles: C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(Oc4cc(O)cc(O)c4C3=O)c5ccc(O)c(O)c5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O See All
Molfile: Download

Related Target

Target ID Name Interaction
T0487 Carbonyl reductase [NADPH] 1 inhibitor

Related Fibrosis Property

Reference Record 1

PubMed ID 28826911 Target ID T0487
Uniprot ID Carbonyl reductase [NADPH] 1 Name Carbonyl reductase [NADPH] 1
Model mice Fibrosis Disease Cardiac fibrosis
Process I
Process II
Process III prevenet collagen deposition
Mechanism Targeting Akt and MAPK pathways

Related Link

PubChem: 5280805
ChEMBL: CHEMBL226335