Molecule ID: 56834170

IUPAC Name: (E)-5-[8-[(E)-6-carboxy-1-phenylhex-1-en-3-yl]-5,7-dihydroxy-4-oxo-2-phenyl-2,3-dihydrochromen-6-yl]-7-phenylhept-6-enoic acid

Description: The molecule is a dihydroxyflavanone that is flavanone substituted by hydroxy groups at positions 5 and 7 and 6-carboxy-1-phenylhex-1-en-3-yl groups at positions 6 and 8 respectively. It has been isolated as a racemate from the bark of Cryptocarya chartacea and exhibits inhibitory activity against dengue virus NS5 polymerase. It has a role as an antiviral agent and a plant metabolite. It is a dicarboxylic acid and a dihydroxyflavanone.

SMILES: O=C(O)CCCC(/C=C/c1ccccc1)c1c(O)c2c(c(C(/C=C/c3ccccc3)CCCC(=O)O)c1O)OC(c1ccccc1)CC2=O

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

InChI: InChI=1S/C41H40O8/c42-32-26-33(29-16-8-3-9-17-29)49-41-37(31(19-11-21-35(45)46)25-23-28-14-6-2-7-15-28)39(47)36(40(48)38(32)41)30(18-10-20-34(43)44)24-22-27-12-4-1-5-13-27/h1-9,12-17,22-25,30-31,33,47-48H,10-11,18-21,26H2,(H,43,44)(H,45,46)/b24-22+,25-23+

Molecular Properties:
- Polar Surface Area: 141.0 Ų
- LogP: 8.3