Molecule ID: 25111663

IUPAC Name: 3-[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]propanoylamino]-2,4-dihydroxybenzamide

Description: The molecule is a polycyclic cage that is the benzamide derivative of platensimycin. It is isolated from Streptomyces platensis. It has a role as a metabolite. It is a cyclic ether, a cyclic ketone, a polycyclic cage, a member of benzamides and a member of resorcinols. It derives from a platensimycin.

SMILES: C[C@]12C[C@@]34C=CC(=O)[C@@](C)(CCC(O)=Nc5c(O)ccc(C(=N)O)c5O)[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][O][C][C][C][Branch1][C][O][=N][C][=C][Branch1][C][O][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=N][O][=C][Ring1][#Branch2][O][C@@H1][Ring2][Ring1][Branch2][C@H1][Branch1][#Branch2][C][C@@H1][Ring2][Ring1][=N][C][Ring2][Ring1][N][O][Ring2][Ring1][#C]

InChI: InChI=1S/C24H28N2O6/c1-22(7-6-17(29)26-18-14(27)4-3-13(19(18)30)21(25)31)16(28)5-8-24-10-12-9-15(20(22)24)32-23(12,2)11-24/h3-5,8,12,15,20,27,30H,6-7,9-11H2,1-2H3,(H2,25,31)(H,26,29)/t12-,15+,20+,22-,23+,24+/m1/s1

Molecular Properties:
- Polar Surface Area: 139.0 Ų
- LogP: 1.7