Molecule ID: 71296174

IUPAC Name: (3R)-3-(2-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-1-ium-7-ol

Description: The molecule is an organic cation obtained by abstraction of a hydride from position 4 of 7,2'-dihydroxy-4'-methoxyisoflavan. A reactive intermediate in the biosynthesis of medicarpin.

SMILES: COc1ccc([C@H]2C=c3ccc(O)cc3=[O+]C2)c(O)c1

SELFIES: [C][O][C][=C][C][=C][Branch2][Ring1][C][C@H1][C][=C][C][=C][C][Branch1][C][O][=C][C][Ring1][#Branch1][=O+1][C][Ring1][O][C][Branch1][C][O][=C][Ring2][Ring1][C]

InChI: InChI=1S/C16H14O4/c1-19-13-4-5-14(15(18)8-13)11-6-10-2-3-12(17)7-16(10)20-9-11/h2-8,11H,9H2,1H3,(H-,17,18)/p+1/t11-/m0/s1

Molecular Properties:
- Polar Surface Area: 50.7 Ų
- LogP: 1.9