Molecule ID: 10439250

IUPAC Name: 10-[[(1R,2R)-5,10-dihydroxy-2-(2-hydroxypropan-2-yl)-6-oxo-1,2-dihydrofuro[2,3-c]xanthen-1-yl]oxy]-6,11-dihydroxy-3,3-dimethylpyrano[2,3-c]xanthen-7-one

Description: The molecule is a member of the class of pyranoxanthones isolated from Hypericum japonicum. It has been found to exhibit inhibitory activity against platelet-activating factor (PAF)-induced hypertension. It has a role as a plant metabolite. It is a member of pyranoxanthones and a polyphenol.

SMILES: CC1(C)C=Cc2c(cc(O)c3c(=O)c4ccc(O[C@@H]5c6c(cc(O)c7c(=O)c8cccc(O)c8oc67)O[C@H]5C(C)(C)O)c(O)c4oc23)O1

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

InChI: InChI=1S/C36H28O12/c1-35(2)11-10-14-21(48-35)12-18(38)23-27(41)16-8-9-20(28(42)31(16)47-30(14)23)44-33-25-22(45-34(33)36(3,4)43)13-19(39)24-26(40)15-6-5-7-17(37)29(15)46-32(24)25/h5-13,33-34,37-39,42-43H,1-4H3/t33-,34-/m1/s1

Molecular Properties:
- Polar Surface Area: 181.0 Ų
- LogP: 5.9