Molecule ID: 54672240

IUPAC Name: (3S)-5,6-dihydroxy-3-methoxy-7-methyl-3-propyl-2-benzofuran-1-one

Description: The molecule is a member of the class of 2-benzofurans that is 2-benzofuran-1(3H)-one substituted by hydroxy groups at positions 5 and 6, a methoxy group at position 3, a methyl group at position 7 and a propyl group at position 3. It has been isolated from Penicillium purpurogenum. It has a role as a metabolite, an antiviral agent and a Penicillium metabolite. It is a member of 2-benzofurans, a gamma-lactone, a member of catechols and an ether.

SMILES: CCC[C@]1(OC)OC(=O)c2c1cc(O)c(O)c2C

SELFIES: [C][C][C][C@][Branch1][Ring1][O][C][O][C][=Branch1][C][=O][C][=C][Ring1][Branch2][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][C]

InChI: InChI=1S/C13H16O5/c1-4-5-13(17-3)8-6-9(14)11(15)7(2)10(8)12(16)18-13/h6,14-15H,4-5H2,1-3H3/t13-/m0/s1

Molecular Properties:
- Polar Surface Area: 76.0 Ų
- LogP: 2.1