Molecule ID: 50906511

IUPAC Name: 1-acetyl-8-hydroxy-9H-pyrido[3,4-b]indole-3-carboxamide

Description: The molecule is a beta-carboline alkaloid that is 9H-beta-carboline substituted by acetyl group at position 1, a hydroxy group at position 8 and an aminocarbonyl at position 3. It has been isolated from Stellaria dichotoma var. lanceolata. It has a role as a plant metabolite. It is a beta-carboline alkaloid, an aromatic ketone, a monocarboxylic acid amide and a member of phenols.

SMILES: CC(=O)c1nc(C(N)=O)cc2c1[nH]c1c(O)cccc12

SELFIES: [C][C][=Branch1][C][=O][C][=N][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][C][=C][Ring1][=Branch2][NH1][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][Ring1][#Branch2]

InChI: InChI=1S/C14H11N3O3/c1-6(18)11-13-8(5-9(16-11)14(15)20)7-3-2-4-10(19)12(7)17-13/h2-5,17,19H,1H3,(H2,15,20)

Molecular Properties:
- Polar Surface Area: 109.0 Ų
- LogP: 1.2