Molecule ID: 52937280

IUPAC Name: [3-[3-(3,6-dihydroxy-2-methylbenzoyl)-2,4-dihydroxy-6-methylphenyl]-2,6-dihydroxy-4-methylphenyl]-(3,6-dihydroxy-2-methylphenyl)methanone

Description: The molecule is a member of the class of biphenyls that is 6,6'-dimethylbiphenyl-2,2',4,4'-tetrol which has been substituted by 3,6-dihydroxy-2-methylbenzoyl groups at positions 3 and 3'. Isolated from the cultures of a Hawaiian isolate of the fungus Phoma species, it exhibits antibacterial and antifungal activities. It has a role as an antibacterial agent, an antifungal agent and a fungal metabolite. It is a polyketide, a polyphenol and a member of biphenyls.

SMILES: Cc1cc(O)c(C(=O)c2c(O)ccc(O)c2C)c(O)c1-c1c(C)cc(O)c(C(=O)c2c(O)ccc(O)c2C)c1O

SELFIES: [C][C][=C][C][Branch1][C][O][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][C][Branch1][C][O][=C][Ring2][Ring1][Ring1][C][=C][Branch1][C][C][C][=C][Branch1][C][O][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][=C][Ring2][Ring1][Ring1][O]

InChI: InChI=1S/C30H26O10/c1-11-9-19(35)25(29(39)23-13(3)15(31)5-7-17(23)33)27(37)21(11)22-12(2)10-20(36)26(28(22)38)30(40)24-14(4)16(32)6-8-18(24)34/h5-10,31-38H,1-4H3

Molecular Properties:
- Polar Surface Area: 196.0 Ų
- LogP: 6.0