Molecule ID: 25227612

IUPAC Name: 7-methoxy-17,17-dimethyl-4,12,18-trioxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(21),2(11),5(10),6,8,13,15,19-octaen-20-ol

Description: The molecule is a member of the class of coumestans that is 9,10-dihydro-6H-[1]benzofuro[3,2-c]chromene substituted by a methoxy group at position 3, a hydroxy group at position 8 and a 6,6-dimethyl-3,6-dihydro-2H-pyran ring fused across positions 9 and 10. Isolated from the roots of Lespedeza floribunda, it acts as a melanin synthesis inhibitor. It has a role as a metabolite and a melanin synthesis inhibitor. It is a member of phenols, an aromatic ether and a member of coumestans.

SMILES: COc1ccc2c(c1)OCc1c-2oc2c3c(c(O)cc12)OC(C)(C)C=C3

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

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

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