Molecule ID: 16155688

IUPAC Name: (2S,3S,10E,22S,23S,30E)-3,23-bis(3,4-dihydroxyphenyl)-14,15,34,35,42,45-hexahydroxy-4,8,20,24,28,40-hexaoxanonacyclo[36.2.2.218,21.15,9.125,29.02,6.012,17.022,26.032,37]hexatetraconta-1(41),5,9(46),10,12,14,16,18(45),21(44),25,29(43),30,32,34,36,38(42)-hexadecaene-7,19,27,39-tetrone

Description: The molecule is a macrocycle isolated from the fungus Phellinus igniarius and has been shown to exhibit antioxidant activity. It has a role as an antioxidant and a fungal metabolite. It is a polyphenol, a furopyran, a delta-lactone and a macrocycle.

SMILES: O=c1oc2cc(O)c1-c1cc(O)c(O)cc1/C=C/c1cc3c(c(=O)o1)[C@H](c1cc(O)c(c(=O)o1)-c1cc(O)c(O)cc1/C=C/c1cc4c(c(=O)o1)[C@H]2[C@@H](c1ccc(O)c(O)c1)O4)[C@@H](c1ccc(O)c(O)c1)O3

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

InChI: InChI=1S/C52H32O20/c53-27-7-3-21(11-29(27)55)47-43-40-18-36(62)42(50(64)72-40)26-16-34(60)32(58)10-20(26)2-6-24-14-38-46(52(66)68-24)44(48(70-38)22-4-8-28(54)30(56)12-22)39-17-35(61)41(49(63)71-39)25-15-33(59)31(57)9-19(25)1-5-23-13-37(69-47)45(43)51(65)67-23/h1-18,43-44,47-48,53-62H/b5-1+,6-2+/t43-,44-,47+,48+/m0/s1

Molecular Properties:
- Polar Surface Area: 326.0 Ų
- LogP: 4.9