Molecule ID: 5281809

IUPAC Name: 7-hydroxy-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),20-heptaen-3-one

Description: The molecule is a member of the class of coumestans that is coumestan substituted by a hydroxy group at position 3 and a 2,2-dimethylpyran group across positions 9 and 10. It has a role as a plant metabolite. It is a member of coumestans, a member of phenols and a delta-lactone. It derives from a coumestan.

SMILES: CC1(C)CCc2c(ccc3c2oc2c4ccc(O)cc4oc(=O)c32)O1

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

InChI: InChI=1S/C20H16O5/c1-20(2)8-7-12-14(25-20)6-5-13-16-18(24-17(12)13)11-4-3-10(21)9-15(11)23-19(16)22/h3-6,9,21H,7-8H2,1-2H3

Molecular Properties:
- Polar Surface Area: 68.9 Ų
- LogP: 4.1