| Phytochemical Name : Jatamansin |
| PCNDIDJ0005 |
| Pubchem CID : 668081 |
| Molecular formula: C19H20O5 |
| Canonical SMILES : CC=C(C)C(=O)OC1CC2=C(C=CC3=C2OC(=O)C=C3)OC1(C)C |
Synonymes : Jatamansin|Xanthogalin|[(9R)-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-9-yl] (Z)-2-methylbut-2-enoate|Spectrum5_000398|BSPBio_003337|MLS002472947|SPECTRUM1504159|CHEMBL457257|SCHEMBL12062120|HMS2193F07|BDBM50069685|SDCCGMLS-0066791.P001|SMR001397055|J3.496.931K|BRD-K07212038-001-02-1|(Z)-2-Methyl-2-butenoic acid (9R)-8,8-dimethyl-2-oxo-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-9-yl ester |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.130 |
| Log Po/w (XLOGP3) : 3.690 |
| Log Po/w (WLOGP) : 3.380 |
| Log Po/w (MLOGP) : 2.640 |
| Log Po/w (SILICOS-IT) : 4.060 |
| Consensus Log Po/w : 3.380 |