Molecule ID: 131379

IUPAC Name: (9aS)-8-acetyl-1,3,7-trihydroxy-9a-methyl-9-oxodibenzofuran-4-carboxamide

Description: The molecule is a member of the class of dibenzofurans that is a potent broad spectrum antifungal agent isolated from the fungus Cercosporidium henningsii. It has a role as an antifungal agent, a phytotoxin, a fungal metabolite and an EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor. It is a member of dibenzofurans, a polyphenol, a monocarboxylic acid amide and a methyl ketone.

SMILES: CC(=O)C1=C(O)C=C2Oc3c(C(=N)O)c(O)cc(O)c3[C@]2(C)C1=O

SELFIES: [C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][O][C][=C][Branch1][=Branch1][C][=Branch1][C][=N][O][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring1][O][C@][Ring1][=C][Branch1][C][C][C][Ring2][Ring1][Ring2][=O]

InChI: InChI=1S/C16H13NO7/c1-5(18)10-7(20)4-9-16(2,14(10)22)12-8(21)3-6(19)11(15(17)23)13(12)24-9/h3-4,19-21H,1-2H3,(H2,17,23)/t16-/m1/s1

Molecular Properties:
- Polar Surface Area: 147.0 Ų
- LogP: 0.9