| Phytochemical Name : Linamarin |
| PCNDIDL0069 |
| Pubchem CID : 11128 |
| Molecular formula: C10H17NO6 |
| Canonical SMILES : CC(C)(C#N)OC1C(C(C(C(O1)CO)O)O)O |
Synonymes : LINAMARIN|Phaseolunatin|554-35-8|2-(beta-D-Glucopyranosyloxy)-2-methylpropanenitrile|HSDB 3507|alpha-Hydroxyisobutyronitrile-beta-D-glucose|UNII-H3V9RP3WLO|H3V9RP3WLO|1-cyano-1-methylethyl beta-D-glucoside|BRN 0019237|2-(beta-D-Glucopyranosyloxy)isobutyronitrile|CHEBI:16441|Propanenitrile, 2-(beta-D-glucopyranosyloxy)-2-methyl-|5-17-07-00397 (Beilstein Handbook Reference)|Manihotoxin|Linamarin min. 99%|Spectrum_001946|SpecPlus_000936|LINAMARIN [MI]|LINAMARIN [HSDB]|Spectrum2_001972|Spectrum3_001622|Spectrum4_001668|Spectrum5_000575|SCHEMBL42021|BSPBio_003283|KBioGR_002195|KBioSS_002500|alpha-Hydroxyisobutyronitrile beta-D-glucopyranoside|DivK1c_007032|SPECTRUM1504124|SPBio_002123|CHEMBL3039425|DTXSID8052857|KBio1_001976|KBio2_002492|KBio2_005060|KBio2_007628|KBio3_002503|CCG-39428|AKOS030242445|SDCCGMLS-0066829.P001|2-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropanenitrile|NCGC00178164-01|HY-123114|LS-120874|CS-0081441|C01594|2-beta-d-glucopyranosyloxy-2-methylpropanenitrile|Q425157|SR-05000002494|SR-05000002494-1|W-203090|2-(beta-D-Glucopyranosyloxy)-2-methyl-Propanenitrile|2-(b-D-Glucopyranosyloxy)-2-methylpropanenitrile, 9CI|2-(.BETA.-D-GLUCOPYRANOSYLOXY)-2-METHYLPROPANENITRILE|alpha-Hydroxyisobutyronitrile beta-D-glucopyranoside, >=98.0% (HPLC)|2-methyl-2-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)propanenitrile|2-methyl-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propanenitrile |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 0.550 |
| Log Po/w (XLOGP3) : -2.270 |
| Log Po/w (WLOGP) : -1.890 |
| Log Po/w (MLOGP) : -2.390 |
| Log Po/w (SILICOS-IT) : -1.590 |
| Consensus Log Po/w : -1.520 |