Molecule ID: 56925919

IUPAC Name: (2R,10R)-7-(3-hydroxy-3-methylbutyl)-21-methoxy-17,17-dimethyl-3,12,16-trioxapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),4(9),5,7,14,20-hexaen-6-ol

Description: The molecule is a member of the class of pterocarpan that is a cis-pterocarpan substituted by a hydroxy group at position 9, a 3-hydroxy-3-methylbutyl group at position 8, a methoxy group at position 1 and a dimethylpyran ring fused across positions 2 and 3. It has been isolated from Glycyrrhiza uralensis. It has a role as a plant metabolite. It is a member of pterocarpans, a member of phenols and an aromatic ether.

SMILES: COc1c2c(cc3c1[C@@H]1Oc4cc(O)c(CCC(C)(C)O)cc4[C@@H]1CO3)OC(C)(C)CC2

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

InChI: InChI=1S/C26H32O6/c1-25(2,28)8-6-14-10-16-17-13-30-21-12-20-15(7-9-26(3,4)32-20)23(29-5)22(21)24(17)31-19(16)11-18(14)27/h10-12,17,24,27-28H,6-9,13H2,1-5H3/t17-,24+/m0/s1

Molecular Properties:
- Polar Surface Area: 77.4 Ų
- LogP: 4.1