| PDB CCD ID: | 1KN |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C12 H17 N O3 |
| InChI: | InChI=1S/C12H17NO3/c1-7-11(14)12(15)10(13-7)8-3-5-9(16-2)6-4-8/h3-7,10-15H,1-2H3/t7-,10-,11+,12-/m0/s1 |
| InChIKey: | RMKWLQBEDHKISQ-VKZDFBPFSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.6 | C[C@H]1[C@H]([C@H]([C@@H](N1)c2ccc(cc2)OC)O)O | | ACDLabs 12.01 | OC2C(c1ccc(OC)cc1)NC(C)C2O | | OpenEye OEToolkits 1.7.6 | CC1C(C(C(N1)c2ccc(cc2)OC)O)O | | CACTVS 3.370 | COc1ccc(cc1)[CH]2N[CH](C)[CH](O)[CH]2O | | CACTVS 3.370 | COc1ccc(cc1)[C@@H]2N[C@@H](C)[C@@H](O)[C@H]2O |
|
| Name: | (2S,3S,4R,5S)-2-(4-methoxyphenyl)-5-methylpyrrolidine-3,4-diol;
N-desmethyl-4-epi-(+)-Codonopsinine |
| ZINC: | ZINC000095921319 |
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