| Phytochemical Name : Prunasin |
| PCNDIDP0187 |
| Pubchem CID : 119033 |
| Molecular formula: C14H17NO6 |
| Canonical SMILES : C1=CC=C(C=C1)C(C#N)OC2C(C(C(C(O2)CO)O)O)O |
Synonymes : Prunasin|(R)-Prunasin|99-18-3|D-Prunasin|(2R)-Prunasin|(R)-(beta-D-Glucopyranosyloxy)phenylacetonitrile|D-Mandelonitrile-beta-D-glucoside|(R)-alpha-(beta-D-Glucopyranosyloxy)benzene-acetonitrile|EINECS 202-738-0|UNII-14W4BPM5FB|BRN 0091509|14W4BPM5FB|CHEBI:17396|(R)-mandelonitrile beta-D-glucoside|(2R)-2-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetonitrile|(R)-mandelonitrile beta-D-glucopyranoside|Benzeneacetonitrile, alpha-(beta-D-glucopyranosyloxy)-, (R)-|5-17-07-00405 (Beilstein Handbook Reference)|(2R)-(beta-D-glucopyranosyloxy)(phenyl)acetonitrile|C14H17NO6|(2R)-2-phenyl-2-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}acetonitrile|Prunacin|(-)-Prunasin|(2R)-Prunasin; (R)-Prunasin; D-Prunasin|PRUNASIN [INCI]|(-)-(2R)-Prunasin|SCHEMBL377612|Benzeneacetonitrile, .alpha.-(.beta.-D-glucopyranosyloxy)-, (R)-|CHEMBL1778417|DTXSID001018995|HY-N1548|AKOS032948360|MANDELONITRILE GLUCOSIDE D-FORM|AS-75874|LS-125901|CS-0017097|MANDELONITRILE GLUCOSIDE D-FORM [MI]|(2R)-(beta-D-glucosyloxy)(phenyl)acetonitrile|(R)-(beta-D-glucopyranosyloxy)phenylacetonitril|C00844|F82086|Q7253027|BENZENEACETONITRILE, .ALPHA.-(.BETA.-D-GLUCOPYRANOSYLOXY)-, (.ALPHA.R)- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.270 |
| Log Po/w (XLOGP3) : -0.710 |
| Log Po/w (WLOGP) : -1.260 |
| Log Po/w (MLOGP) : -1.580 |
| Log Po/w (SILICOS-IT) : -0.660 |
| Consensus Log Po/w : -0.590 |