| Phytochemical Name : Neopine |
| PCNDIDN0041 |
| Pubchem CID : 5462437 |
| Molecular formula: C18H21NO3 |
| Canonical SMILES : CN1CCC23C4C(CC=C2C1CC5=C3C(=C(C=C5)OC)O4)O |
Synonymes : Neopine|467-14-1|Neopin|UNII-TM43JB0IA8|TM43JB0IA8|beta-Codeine|EINECS 207-387-7|.beta.-Codeine|(5alpha,6alpha)-8,14-Didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-ol|(4R,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,6,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol|Spectrum2_001745|Spectrum3_001011|NEOPINE [MI]|Spectrum4_001139|Spectrum5_001754|BSPBio_002761|KBioGR_001657|SCHEMBL679477|SPBio_001850|CHEBI:7509|KBio3_001981|DTXSID80196910|Morphinan-6.alpha.-ol, 8,14-didehydro-4,5.alpha.-epoxy-3-methoxy-17-methyl-|CCG-39441|C09594|BRD-K34252131-001-02-0|Q27107515|(5-alpha,6-alpha)-8,14-Didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-ol|(5.ALPHA.,6.ALPHA.)-8,14-DIDEHYDRO-4,5-EPOXY-3-METHOXY-17-METHYLMORPHINAN-6-OL |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.950 |
| Log Po/w (XLOGP3) : 1.590 |
| Log Po/w (WLOGP) : 1.260 |
| Log Po/w (MLOGP) : 1.980 |
| Log Po/w (SILICOS-IT) : 2.250 |
| Consensus Log Po/w : 2.010 |