| Phytochemical Name : Capaurine |
| PCNDIDC0034 |
| Pubchem CID : 94149 |
| Molecular formula: C21H25NO5 |
| Canonical SMILES : COC1=C(C2=C(CC3C4=C(C(=C(C=C4CCN3C2)OC)OC)O)C=C1)OC |
Synonymes : Capaurine|(-)-Capaurine|l-Capaurine|478-14-8|NSC 404532|2,3,9,10-Tetramethoxy-13a-alpha-berbin-1-ol|CHEBI:3366|(13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-1-ol|13aalpha-Berbin-1-ol, 2,3,9,10-tetramethoxy-|13a-alpha-Berbin-1-ol, 2,3,9,10-tetramethoxy-|(S)-2,3,9,10-tetramethoxy-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinolin-1-ol|6H-Dibenzo(a,g)quinolizin-1-ol, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-, (S)-|6H-Dibenzo[a,g]quinolizin-1-ol, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-, (S)-|13a|A-berbin-1-ol, 2,3,9,10-tetramethoxy-|SCHEMBL679767|CHEMBL478775|DTXSID101317473|AKOS040750997|LS-48783|C09371|13a.alpha.-Berbin-1-ol, 2,3,9,10-tetramethoxy-|Q27106048|2,3,9,10-Tetramethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinolin-1-ol # |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.630 |
| Log Po/w (XLOGP3) : 2.880 |
| Log Po/w (WLOGP) : 2.220 |
| Log Po/w (MLOGP) : 1.660 |
| Log Po/w (SILICOS-IT) : 3.270 |
| Consensus Log Po/w : 2.730 |