Molecule ID: 46197718

IUPAC Name: 2,4-dihydroxy-3-[3-[(1S,5S,6R,8S,10S)-10-hydroxy-5-methyl-9-methylidene-4-oxo-5-tricyclo[6.2.2.01,6]dodec-2-enyl]propanoylamino]benzoic acid

Description: The molecule is a polycyclic cage that is the 4-hydroxy derivative of platencin. It is isolated from Streptomyces platensis. It has a role as a bacterial metabolite. It is a cyclic ketone, a dihydroxybenzoic acid, a polycyclic cage, a secondary alcohol, an aromatic amide and a monocarboxylic acid amide. It derives from a platencin.

SMILES: C=C1[C@H]2CC[C@@]3(C=CC(=O)[C@@](C)(CCC(O)=Nc4c(O)ccc(C(=O)O)c4O)[C@@H]3C2)[C@H]1O

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

InChI: InChI=1S/C24H27NO7/c1-12-13-5-9-24(21(12)30)10-6-17(27)23(2,16(24)11-13)8-7-18(28)25-19-15(26)4-3-14(20(19)29)22(31)32/h3-4,6,10,13,16,21,26,29-30H,1,5,7-9,11H2,2H3,(H,25,28)(H,31,32)/t13-,16-,21-,23-,24-/m0/s1

Molecular Properties:
- Polar Surface Area: 144.0 Ų
- LogP: 2.2