Molecule ID: 21141346

IUPAC Name: (6aR,11aR)-4,10-bis(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol

Description: The molecule is a member of the class of pterocarpans that is 3,9-dihydroxypterocarpan substituted with prenyl groups at positions 4 and 10 (the 6aR,11aR stereoisomer). Isolated from Erythrina stricta and Erythrina zeyheri, it exhibits antibacterial, antimycobacterial, antiplasmodial and cytotoxic activities. It has a role as an antibacterial agent, an antineoplastic agent, an antiplasmodial drug and a plant metabolite. It is a member of pterocarpans and a member of phenols. It derives from a (6aR,11aR)-3,9-dihydroxypterocarpan.

SMILES: CC(C)=CCc1c(O)ccc2c1O[C@H]1c3ccc(O)c(CC=C(C)C)c3OC[C@@H]21

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

InChI: InChI=1S/C25H28O4/c1-14(2)5-7-17-21(26)12-10-19-23(17)28-13-20-16-9-11-22(27)18(8-6-15(3)4)24(16)29-25(19)20/h5-6,9-12,20,25-27H,7-8,13H2,1-4H3/t20-,25-/m0/s1

Molecular Properties:
- Polar Surface Area: 58.9 Ų
- LogP: 6.1