Molecule ID: 119326

IUPAC Name: 6-[(1R,2S,4aR,8aR)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-4-methoxy-2-oxopyran-3-carbaldehyde

Description: The molecule is a solanapyrone, a pyrancarbaldehyde and a member of octahydronaphthalenes. It has a role as an EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor.

SMILES: COc1cc([C@H]2[C@@H]3CCCC[C@@H]3C=C[C@@H]2C)oc(=O)c1C=O

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

InChI: InChI=1S/C18H22O4/c1-11-7-8-12-5-3-4-6-13(12)17(11)16-9-15(21-2)14(10-19)18(20)22-16/h7-13,17H,3-6H2,1-2H3/t11-,12+,13+,17+/m0/s1

Molecular Properties:
- Polar Surface Area: 52.6 Ų
- LogP: 3.7