Molecule ID: 25053148

IUPAC Name: (11S,15R)-11,15-dihydroxy-23-methoxy-13-methyl-3,13,16-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(23),2(10),4,6,8,17,19,21-octaene-12,14-dione

Description: The molecule is an organic heterohexacyclic compound that is cladoniamide B in which both of the chlorines are replaced by hydrogen. It has been isolated from the culture broth of Streptomyces uncialis. It is a cladoniamide, an organic heterohexacyclic compound, a dicarboximide, a tertiary alcohol and a diol.

SMILES: COc1c2n(c3ccccc13)[C@]1(O)C(=O)N(C)C(=O)[C@]1(O)c1c-2[nH]c2ccccc12

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

InChI: InChI=1S/C22H17N3O5/c1-24-19(26)21(28)15-11-7-3-5-9-13(11)23-16(15)17-18(30-2)12-8-4-6-10-14(12)25(17)22(21,29)20(24)27/h3-10,23,28-29H,1-2H3/t21-,22+/m1/s1

Molecular Properties:
- Polar Surface Area: 108.0 Ų
- LogP: 1.2