Molecule ID: 25053149

IUPAC Name: (12R)-7,17-dichloro-12-hydroxy-20-methoxy-N-methyl-11-oxo-3,13-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(20),2(10),4(9),5,7,14(19),15,17-octaene-12-carboxamide

Description: The molecule is an organic heteropentacyclic compound that is 7,12-dihydro-6H-pyrido[1,2-a:3,4-b']diindole substituted by chloro groups at positions 2 and 9, a hydroxy group and an N-methyl carbamyl group at position 6, a methoxy group at position 13, and an oxo group at position 7 (the 6R stereoisomer). It is isolated from the culture broth of Streptomyces uncialis. It is a cladoniamide, an organic heteropentacyclic compound, an organochlorine compound, a tertiary alcohol and a secondary carboxamide.

SMILES: CN=C(O)[C@]1(O)C(=O)c2c([nH]c3ccc(Cl)cc23)-c2c(OC)c3cc(Cl)ccc3n21

SELFIES: [C][N][=C][Branch1][C][O][C@][Branch1][C][O][C][=Branch1][C][=O][C][=C][Branch1][#C][NH1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][=C][Branch1][Ring1][O][C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][Ring1][N][Ring2][Ring1][#Branch2]

InChI: InChI=1S/C21H15Cl2N3O4/c1-24-20(28)21(29)19(27)15-11-7-9(22)3-5-13(11)25-16(15)17-18(30-2)12-8-10(23)4-6-14(12)26(17)21/h3-8,25,29H,1-2H3,(H,24,28)/t21-/m1/s1

Molecular Properties:
- Polar Surface Area: 96.4 Ų
- LogP: 4.1