Molecule ID: 11609971

IUPAC Name: 9-methoxy-17,17-dimethyl-4,12,18-trioxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),5(10),6,8,14(19),15,20-octaen-7-ol

Description: The molecule is an organic heteropentacyclic compound that is 2H-pyrano[3',4',5'',6'']-pterocarpene substituted by a hydroxy group at position 7, a methoxy group at position 5 and geminal methyl groups at position 2''. Isolated from the roots of Glycyrrhiza uralensis, it exhibits antibacterial activity. It has a role as a metabolite and an antibacterial agent. It is an organic heteropentacyclic compound, an ether and a member of phenols.

SMILES: COc1cc(O)cc2c1-c1oc3c4c(ccc3c1CO2)OC(C)(C)C=C4

SELFIES: [C][O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][C][O][C][=C][C][=Branch1][=N][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][O][Ring1][=N][O][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][=C]

InChI: InChI=1S/C21H18O5/c1-21(2)7-6-13-15(26-21)5-4-12-14-10-24-17-9-11(22)8-16(23-3)18(17)20(14)25-19(12)13/h4-9,22H,10H2,1-3H3

Molecular Properties:
- Polar Surface Area: 61.1 Ų
- LogP: 4.1