Molecule ID: 25111665

IUPAC Name: 3-[(1S,5S,6R,7S,9S,10S)-5,9-dimethyl-4-oxo-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-en-5-yl]-N-(7-hydroxy-2,4-dioxo-1,3-benzoxazin-8-yl)propanamide

Description: The molecule is a polycyclic cage that is platensimycin with a 1,3-oxazinane ring fused onto the aromatic ring. It is isolated from Streptomyces platensis. It has a role as a bacterial metabolite. It is a cyclic ether, a cyclic ketone, a polycyclic cage, a benzoxazine, an aromatic amide and a monocarboxylic acid amide. It derives from a platensimycin.

SMILES: C[C@]12C[C@@]34C=CC(=O)[C@@](C)(CCC(O)=Nc5c(O)ccc6c(O)nc(=O)oc56)[C@@H]3[C@H](C[C@@H]1C4)O2

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

InChI: InChI=1S/C25H26N2O7/c1-23(16(29)5-8-25-10-12-9-15(20(23)25)34-24(12,2)11-25)7-6-17(30)26-18-14(28)4-3-13-19(18)33-22(32)27-21(13)31/h3-5,8,12,15,20,28H,6-7,9-11H2,1-2H3,(H,26,30)(H,27,31,32)/t12-,15+,20+,23-,24+,25+/m1/s1

Molecular Properties:
- Polar Surface Area: 131.0 Ų
- LogP: 1.7