| Phytochemical Name : Fenugreekine |
| PCNDIDF0014 |
| Pubchem CID : 444170 |
| Molecular formula: C21H27N7O14P2 |
| Canonical SMILES : C1=CC(=NC(=C1)C(=O)N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O |
Synonymes : Fenugreekine|CPAD|5-BETA-D-RIBOFURANOSYLPICOLINAMIDE ADENINE-DINUCLEOTIDE|CHEMBL1235132|CHEBI:172790|DB04071|[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5S)-5-(6-carbamoylpyridin-2-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate|Q27464323|[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]({[(2R,3S,4R,5S)-5-(6-carbamoylpyridin-2-yl)-3,4-dihydroxyoxolan-2-yl]methoxy})phosphinic acid |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 0.940 |
| Log Po/w (XLOGP3) : -5.920 |
| Log Po/w (WLOGP) : -3.010 |
| Log Po/w (MLOGP) : -5.330 |
| Log Po/w (SILICOS-IT) : -5.620 |
| Consensus Log Po/w : -3.790 |