Molecule ID: 71306327

IUPAC Name: 5-[(2S,3R,4S,5S)-4-[(2R,3R)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]-2,5-bis(4-hydroxyphenyl)oxolan-3-yl]benzene-1,3-diol

Description: The molecule is a stilbenoid isolated from the stems of Kobresia nepalensis and has been shown to exhibit inhibitory activity against topoisomerase II. It has a role as a metabolite and an EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor. It is a stilbenoid, a polyphenol and a member of 1-benzofurans.

SMILES: Oc1ccc([C@H]2O[C@H](c3ccc(O)cc3)[C@@H](c3cc(O)cc(O)c3)[C@H]2c2cc3c(cc2O)O[C@@H](c2ccc(O)cc2)[C@@H]3c2cc(O)cc(O)c2)cc1

SELFIES: [O][C][=C][C][=C][Branch2][=Branch1][P][C@H1][O][C@H1][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C@@H1][Branch1][#C][C][=C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring1][Branch2][C@H1][Ring2][Ring1][Ring2][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][O][O][C@@H1][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C@@H1][Ring1][#C][C][=C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][=C][Ring2][Branch1][Ring1]

InChI: InChI=1S/C42H34O10/c43-26-7-1-21(2-8-26)40-37(24-13-29(46)17-30(47)14-24)34-19-33(35(50)20-36(34)51-40)39-38(25-15-31(48)18-32(49)16-25)41(22-3-9-27(44)10-4-22)52-42(39)23-5-11-28(45)12-6-23/h1-20,37-50H/t37-,38+,39-,40+,41-,42-/m1/s1

Molecular Properties:
- Polar Surface Area: 180.0 Ų
- LogP: 6.6