| Phytochemical Name : cinchonain Ib |
| PCNDIDC0165 |
| Pubchem CID : 442675 |
| Molecular formula: C24H20O9 |
| Canonical SMILES : C1C(C(OC2=C1C(=CC3=C2C(CC(=O)O3)C4=CC(=C(C=C4)O)O)O)C5=CC(=C(C=C5)O)O)O |
Synonymes : cinchonain Ia|85081-24-9|cinchonain Ib|(-)-Cinchonain IA|XAW49PG8E7|Cinchonain 1a|UNII-XAW49PG8E7|CHEBI:3702|(2R,3R,10R)-2,10-Bis(3,4-dihydroxyphenyl)-3,4,9,10-tetrahydro-3,5-dihydroxy-2H,8H-benzo(1,2-b:3,4-b')dipyran-8-one|(2R,3R,10R)-2,10-bis(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4,9,10-tetrahydro-2H-pyrano[2,3-f]chromen-8-one|2H,8H-Benzo(1,2-b:3,4-b')dipyran-8-one, 2,10-bis(3,4-dihydroxyphenyl)-3,4,9,10-tetrahydro-3,5-dihydroxy-, (2R-(2alpha,3alpha,10alpha))-|2H,8H-Benzo[1,2-b:3,4-b']dipyran-8-one, 2,10-bis(3,4-dihydroxyphenyl)-3,4,9,10-tetrahydro-3,5-dihydroxy-, (2R,3R,10R)-|DTXSID00440220|DTXSID40331901|CHEMBL251476|SCHEMBL1769333|DTXCID60391042|LMPK12020084|AKOS040762687|2H,8H-BENZO(1,2-B:3,4-B')DIPYRAN-8-ONE, 2,10-BIS(3,4-DIHYDROXYPHENYL)-3,4,9,10-TETRAHYDRO-3,5-DIHYDROXY-, (2R-(2.ALPHA.,3.ALPHA.,10.ALPHA.))- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.570 |
| Log Po/w (XLOGP3) : 2.240 |
| Log Po/w (WLOGP) : 2.370 |
| Log Po/w (MLOGP) : 0.980 |
| Log Po/w (SILICOS-IT) : 2.030 |
| Consensus Log Po/w : 1.840 |