Molecule ID: 146672231

IUPAC Name: (1Z,3E,5S,7R,8R,10R,11R,12S,15R,16S,18Z,24R,25S)-11-ethyl-2,24-dihydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.05,16.07,15.08,12]octacosa-1,3,13,18-tetraene-20,27,28-trione

Description: The molecule is a polyketide macrolactam containing a tetramic acid (pyrrolidine-2,4-dione) ring system. It is the 3-hydroxyl derivative of ikarugamycin and isolated from Micromonospora sp. K310. It has a role as a marine metabolite, a bacterial metabolite and an antibacterial agent. It is an azamacrocycle, an organic heteropentacyclic compound, an enone, a lactam and a polyketide. It derives from an ikarugamycin.

SMILES: CC[C@H]1[C@@H]2C=C[C@@H]3[C@H]4C/C=C\C(O)=NCC[C@@H](O)[C@@H]5N=C(O)/C(=C(O)/C=C/[C@@H]4C[C@@H]3[C@H]2C[C@H]1C)C5=O

SELFIES: [C][C][C@H1][C@@H1][C][=C][C@@H1][C@H1][C][/C][=C][\C][Branch1][C][O][=N][C][C][C@@H1][Branch1][C][O][C@@H1][N][=C][Branch1][C][O][/C][=Branch2][Ring1][#Branch2][=C][Branch1][C][O][/C][=C][/C@@H1][Ring2][Ring1][Branch1][C][C@@H1][Ring2][Ring1][Branch2][C@H1][Ring2][Ring1][N][C][C@H1][Ring2][Ring1][#C][C][C][Ring1][P][=O]

InChI: InChI=1S/C29H38N2O5/c1-3-17-15(2)13-21-19(17)8-9-20-18-5-4-6-25(34)30-12-11-24(33)27-28(35)26(29(36)31-27)23(32)10-7-16(18)14-22(20)21/h4,6-10,15-22,24,27,32-33H,3,5,11-14H2,1-2H3,(H,30,34)(H,31,36)/b6-4-,10-7+,26-23-/t15-,16-,17-,18+,19+,20-,21+,22+,24-,27+/m1/s1

Molecular Properties:
- Polar Surface Area: 116.0 Ų
- LogP: 4.0