Molecule ID: 91820072

IUPAC Name: (3R,4R)-3-(6-hydroxy-1,3-benzodioxol-5-yl)-3,4-dihydro-2H-chromene-4,7-diol

Description: The molecule is a member of the class of hydroxyisoflavans that is isoflavan-4,7-diol which is substituted by a hydroxy group at the 2' position and by a methylenedioxy group at the 4'-5' positions (the R,R stereoisomer). It is a member of hydroxyisoflavans and a member of benzodioxoles.

SMILES: Oc1ccc2c(c1)OC[C@@H](c1cc3c(cc1O)OCO3)[C@H]2O

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

InChI: InChI=1S/C16H14O6/c17-8-1-2-9-13(3-8)20-6-11(16(9)19)10-4-14-15(5-12(10)18)22-7-21-14/h1-5,11,16-19H,6-7H2/t11-,16-/m0/s1

Molecular Properties:
- Polar Surface Area: 88.4 Ų
- LogP: 1.7