Molecule ID: 44233477

IUPAC Name: 2,4-dihydroxy-3-[3-[(1S,5S,6R,7S,9R,10S,12R)-12-hydroxy-5,9-dimethyl-4-oxo-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-en-5-yl]propanoylamino]benzoic acid

Description: The molecule is a polycyclic cage that is the 5-hydroxy 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 dihydroxybenzoic acid, a polycyclic cage, a secondary alcohol, an aromatic amide and a monocarboxylic acid amide. It derives from a platensimycin.

SMILES: C[C@@]12O[C@H]3C[C@@H]1C[C@@]1(C=CC(=O)[C@@](C)(CCC(O)=Nc4c(O)ccc(C(=O)O)c4O)[C@H]31)[C@H]2O

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

InChI: InChI=1S/C24H27NO8/c1-22(7-6-16(28)25-17-13(26)4-3-12(18(17)29)20(30)31)15(27)5-8-24-10-11-9-14(19(22)24)33-23(11,2)21(24)32/h3-5,8,11,14,19,21,26,29,32H,6-7,9-10H2,1-2H3,(H,25,28)(H,30,31)/t11-,14+,19+,21+,22-,23-,24-/m1/s1

Molecular Properties:
- Polar Surface Area: 153.0 Ų
- LogP: 1.4