Molecule ID: 10484577

IUPAC Name: 6,11-dihydroxy-3,3-dimethyl-10-[[(1R,2R)-5,9,10-trihydroxy-2-(2-hydroxypropan-2-yl)-6-oxo-1,2-dihydrofuro[2,3-c]xanthen-1-yl]oxy]pyrano[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 an antineoplastic agent. 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)c8ccc(O)c(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][Branch1][C][=C][Branch1][C][O][C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Branch1][Ring2][O][C@@H1][C][=C][Branch2][Ring1][S][C][=C][Branch1][C][O][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][O][C][Ring2][Ring1][C][=Ring1][=N][O][C@H1][Ring2][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][O][C][Branch1][C][O][=C][Ring2][Ring1][P][O][C][Ring2][Ring2][O][=Ring2][Ring2][=Branch1][O][Ring2][Ring2][S]

InChI: InChI=1S/C36H28O13/c1-35(2)10-9-13-20(49-35)11-17(38)22-25(40)15-6-8-19(28(43)31(15)47-29(13)22)45-33-24-21(46-34(33)36(3,4)44)12-18(39)23-26(41)14-5-7-16(37)27(42)30(14)48-32(23)24/h5-12,33-34,37-39,42-44H,1-4H3/t33-,34-/m1/s1

Molecular Properties:
- Polar Surface Area: 202.0 Ų
- LogP: 5.5