Molecule ID: 121232634

IUPAC Name: (2R,11R)-17,17-dimethyl-4,12,18-trioxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),5(10),6,8,14(19),20-hexaen-7-ol

Description: The molecule is a prenylated member of the class of pterocarpans and an organic heteropentacyclic compound that is 2,3,6b,12b-tetrahydro-1H,7H-chromeno[6',5':4,5]furo[3,2-c]chromen-10-ol in which both of the hydrogens at position 3 have been replaced by methyl groups (the R,R stereoisomer). It is found in found in the seeds of Phaseolus vulgaris (French bean) and in the stems of Erythrina subumbrans. It has a role as a plant metabolite. It is an organic heteropentacyclic compound, a member of pterocarpans and a member of phenols.

SMILES: CC1(C)CCc2c(ccc3c2O[C@H]2c4ccc(O)cc4OC[C@@H]32)O1

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

InChI: InChI=1S/C20H20O4/c1-20(2)8-7-14-16(24-20)6-5-12-15-10-22-17-9-11(21)3-4-13(17)19(15)23-18(12)14/h3-6,9,15,19,21H,7-8,10H2,1-2H3/t15-,19-/m0/s1

Molecular Properties:
- Polar Surface Area: 47.9 Ų
- LogP: 3.6