Doxercalciferol

Basic Information

CAS ID: 54573-75-0
Molecular Formula: C28H44O2
Molecular Weight: 412.7 g/mol
Monoisotopic Mass: 412.3341 g/mol
Class: Small Molecule
Natural Product: No
Other Names: DOXERCALCIFEROL | HECTOROL
Analysis: Drug repositioning mechanism analysis

HO OH

Compound Structure and Identifier

InChI: InChI=1S/C28H44O2/c1-18(2)19(3)9-10-20(4)25-13-14-26-22(8-7-15-28(25,26)6)11-12-23-16-24(29)17-27(30)21(23)5/h9-12,18-20,24-27,29-30H,5,7-8,13-17H2,1-4,6H3/b10-9+,22-11+,23-12-/t19-,20+,24+,25+,26-,27-,28+/m0/s1 See All
InChI Key: HKXBNHCUPKIYDM-CGMHZMFXSA-N
Smiles: CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2\C(=C\C=C/3\C[C@@H](O)C[C@H](O)C3=C)\CCC[C@]12C See All
Molfile: Download

Related Target

Target ID Name Interaction
T0534 Vitamin D3 receptor inhibitor

Related Fibrosis Property

Reference Record 1

PubMed ID 23123403 Target ID T0534
Uniprot ID Vitamin D3 receptor Name Vitamin D3 receptor
Model vitro,mice Fibrosis Disease Renal fibrosis
Process I
Process II
Process III prevenet collagen deposition
Mechanism

Related Link

PubChem: 5281107
ChEMBL: CHEMBL1200810