Molecule ID: 25111664

IUPAC Name: N-(2,6-dihydroxyphenyl)-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]propanamide

Description: The molecule is a polycyclic cage that is the decarboxy derivative of platensimycin. 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 member of resorcinols, 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)cccc5O)[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][Ring2][C][C][C][Branch1][C][O][=N][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][O][C@@H1][Ring2][Ring1][Branch1][C@H1][Branch1][#Branch2][C][C@@H1][Ring2][Ring1][#Branch2][C][Ring2][Ring1][=Branch2][O][Ring2][Ring1][N]

InChI: InChI=1S/C23H27NO5/c1-21(8-7-18(28)24-19-14(25)4-3-5-15(19)26)17(27)6-9-23-11-13-10-16(20(21)23)29-22(13,2)12-23/h3-6,9,13,16,20,25-26H,7-8,10-12H2,1-2H3,(H,24,28)/t13-,16+,20+,21-,22+,23+/m1/s1

Molecular Properties:
- Polar Surface Area: 95.9 Ų
- LogP: 2.3