Molecule ID: 10258888

IUPAC Name: [(3R,4R,4aR)-7-[(5R,6R,10aR)-5-acetyloxy-1,9-dihydroxy-10a-(hydroxymethyl)-6-methyl-8-oxo-6,7-dihydro-5H-xanthen-2-yl]-8,9-dihydroxy-4a-(hydroxymethyl)-3-methyl-1-oxo-3,4-dihydro-2H-xanthen-4-yl] acetate

Description: The molecule is a biaryl that is 5,5',7,7',9,9',10a,10a'-octahydro-6H,6'H-2,2'-bixanthene substituted by acetoxy groups at C-5 and C-5', hydroxy groups at C-1, C-1', C-8 and C-8', hydroxymethyl groups at C-10a and C-10a', methyl groups at C-6 and C-6' and oxo groups at C-9 and C-9' respectively. A dimeric tetrahydroxanthone derivative isolated from Phomopsis longicolla, it exhibits antibacterial and cytotoxic activities. It has a role as a metabolite, an antimicrobial agent and an antineoplastic agent. It is a member of xanthones, a biaryl, an acetate ester, a polyphenol and a primary alcohol.

SMILES: CC(=O)O[C@@H]1[C@H](C)CC(=O)C2=C(O)c3c(ccc(-c4ccc5c(c4O)C(O)=C4C(=O)C[C@@H](C)[C@@H](OC(C)=O)[C@@]4(CO)O5)c3O)O[C@@]21CO

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

InChI: InChI=1S/C34H34O14/c1-13-9-19(39)25-29(43)23-21(47-33(25,11-35)31(13)45-15(3)37)7-5-17(27(23)41)18-6-8-22-24(28(18)42)30(44)26-20(40)10-14(2)32(46-16(4)38)34(26,12-36)48-22/h5-8,13-14,31-32,35-36,41-44H,9-12H2,1-4H3/t13-,14-,31-,32-,33+,34+/m1/s1

Molecular Properties:
- Polar Surface Area: 227.0 Ų
- LogP: 1.6