Molecule ID: 25053152

IUPAC Name: (12R)-7-chloro-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),5,7,14,16,18-octaene-12-carboxamide

Description: The molecule is an organic heteropentacyclic compound that is cladoniamide E in which the chlorine attached to the methoxy-bearing indole moiety is replaced by a hydrogen. It has been 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)c3ccccc3n21

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][=C][C][=C][Ring1][=Branch1][N][Ring1][O][Ring2][Ring1][=Branch2]

InChI: InChI=1S/C21H16ClN3O4/c1-23-20(27)21(28)19(26)15-12-9-10(22)7-8-13(12)24-16(15)17-18(29-2)11-5-3-4-6-14(11)25(17)21/h3-9,24,28H,1-2H3,(H,23,27)/t21-/m1/s1

Molecular Properties:
- Polar Surface Area: 96.4 Ų
- LogP: 3.4