Molecule ID: 50906293

IUPAC Name: methyl (Z)-3-[(1-acetyl-8-hydroxy-9H-pyrido[3,4-b]indole-3-carbonyl)amino]prop-2-enoate

Description: The molecule is a beta-carboline alkaloid isolated from Stellaria dichotoma var. lanceolata. It has a role as a plant metabolite. It is a beta-carboline alkaloid, an aromatic ketone, a member of phenols, an enoate ester, a methyl ester and a secondary carboxamide.

SMILES: COC(=O)/C=C\NC(=O)c1cc2c([nH]c3c(O)cccc32)c(C(C)=O)n1

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

InChI: InChI=1S/C18H15N3O5/c1-9(22)15-17-11(10-4-3-5-13(23)16(10)21-17)8-12(20-15)18(25)19-7-6-14(24)26-2/h3-8,21,23H,1-2H3,(H,19,25)/b7-6-

Molecular Properties:
- Polar Surface Area: 121.0 Ų
- LogP: 2.1