| Phytochemical Name : Qianhucoumarin A |
| PCNDIDQ0001 |
| Pubchem CID : 6444285 |
| Molecular formula: C19H20O6 |
| Canonical SMILES : CC=C(C)C(=O)OC1C(C(OC2=C1C3=C(C=C2)C=CC(=O)O3)(C)C)O |
Synonymes : Qianhucoumarin A|[(9R,10R)-9-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] (E)-2-methylbut-2-enoate|150135-35-6|3'-Hydroxy-4'-tigloyloxy-3',4'-dihydroseslin|HY-N8632|AKOS040762262|CS-0148767|2-Butenoic acid, 2-methyl-, 9,10-dihydro-9-hydroxy-8,8-dimethyl-2-oxo-2H,8H-benzo(1,2-b:3,4-b')dipyran-10-yl ester, (9R-(9alpha,10alpha(E)))- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.110 |
| Log Po/w (XLOGP3) : 2.570 |
| Log Po/w (WLOGP) : 2.550 |
| Log Po/w (MLOGP) : 1.830 |
| Log Po/w (SILICOS-IT) : 3.170 |
| Consensus Log Po/w : 2.650 |