Molecule ID: 52937683

IUPAC Name: methyl 2,4-dihydroxy-3-[3-[(1R,5S,6R,7S,9S,10R,11R)-11-hydroxy-5,9-dimethyl-4-oxo-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-en-5-yl]propanoylamino]benzoate

Description: The molecule is a polycyclic cage that is the methyl ester derivative of 11-hydroxy substituted 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, a secondary alcohol, a benzoate ester, an aromatic amide and a monocarboxylic acid amide. It derives from a platensimycin.

SMILES: COC(=O)c1ccc(O)c(N=C(O)CC[C@]2(C)C(=O)C=C[C@@]34C[C@]5(C)O[C@@H](C[C@@H]5[C@H]3O)[C@H]42)c1O

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

InChI: InChI=1S/C25H29NO8/c1-23(8-7-17(29)26-18-14(27)5-4-12(19(18)30)22(32)33-3)16(28)6-9-25-11-24(2)13(21(25)31)10-15(34-24)20(23)25/h4-6,9,13,15,20-21,27,30-31H,7-8,10-11H2,1-3H3,(H,26,29)/t13-,15+,20+,21-,23-,24+,25+/m1/s1

Molecular Properties:
- Polar Surface Area: 142.0 Ų
- LogP: 1.7