Molecule ID: 52937684

IUPAC Name: methyl 2,4-dihydroxy-3-[3-[(1S,5S,6R,7S,9S,10R)-10-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 7-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 tertiary 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(O)C[C@H](O[C@@]5(C)C3)[C@H]42)c1O

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

InChI: InChI=1S/C25H29NO8/c1-22(8-7-17(29)26-18-14(27)5-4-13(19(18)30)21(31)33-3)16(28)6-9-24-11-23(2)25(32,12-24)10-15(34-23)20(22)24/h4-6,9,15,20,27,30,32H,7-8,10-12H2,1-3H3,(H,26,29)/t15-,20-,22+,23-,24+,25-/m0/s1

Molecular Properties:
- Polar Surface Area: 142.0 Ų
- LogP: 1.6