| Phytochemical Name : Cinchonine |
| PCNDIDC0166 |
| Pubchem CID : 90454 |
| Molecular formula: C19H22N2O |
| Canonical SMILES : C=CC1CN2CCC1CC2C(C3=CC=NC4=CC=CC=C34)O |
Synonymes : cinchonine|118-10-5|(+)-Cinchonine|D-Cinchonine|Cinchonan-9-ol, (9S)-|(8R,9S)-Cinchonine|(9S)-Cinchonan-9-ol|(+)-Cinconine|TCMDC-123933|cinchonin|(+)-cinchonin|GNF-Pf-3189|NSC-6176|UNII-V43X79NZCD|V43X79NZCD|(1S)-Quinolin-4-yl((2R,4S,5R)-5-vinylquinuclidin-2-yl)methanol|DTXSID6045082|CHEBI:27509|C19H22N2O|MFCD00064372|2-Quinuclidinemethanol, .alpha.-(5-vinyl-2-quinolyl)-|NSC6176|.alpha.-Quinidine|NSC 6176|EINECS 204-234-6|(S)-Quinolin-4-yl-(5-vinyl-1-aza-bicyclo[2.2.2]oct-2-yl)-methanol|AI3-09058|2-Quinuclidinemethanol, alpha-4-quinolyl-5-vinyl-|(+)-Quinolin-4-yl(5-vinylquinuclidin-2-yl)methanol|alpha-(5-Vinyl-2-quinuclidinyl)-4-quinolinemethanol|2-Quinuclidinemethanol, alpha-(5-vinyl-2-quinolyl)-|(S)-quinolin-4-yl((1S,2R,4S,5R)-5-vinylquinuclidin-2-yl)methanol|CAS-118-10-5|CINCHORINE|CINCHONINE [MI]|Prestwick3_000608|2-Quinuclidinemethanol, .alpha.-4-quinolyl-5-vinyl-|(+)-Cinchonine, 85%|CINCHONINE [WHO-DD]|(+)-Cinchonine; >99%|BSPBio_000516|MLS002153907|SCHEMBL158394|BPBio1_000568|CHEMBL588619|MEGxp0_001905|ACon0_001352|ACon1_000336|DTXCID801474963|HMS2096J18|HMS2235N18|HY-Y0152|Tox21_110009|(+)-Cinchonine, analytical standard|BDBM50370411|AKOS015895982|LA40221|NCGC00013067-01|NCGC00169174-01|NCGC00169174-02|NCGC00262542-03|DS-15267|NCI60_005298|SMR001233256|Cinchonine, crystallized, >=98.0% (NT)|AB00374715|CS-0008420|O10016|WLN: T66 BNJ EYQ-DT66 A B CNTJ A1U1|Q2972710|BRD-K90268819-001-03-4|(S)-4-quinolyl-[(2R,4S,5R)-5-vinylquinuclidin-2-yl]methanol|(S)-quinolin-4-yl((2R,4S,5R)-5-vinylquinuclidin-2-yl)methanol|(S)-Quinolin-4-yl((1S,2R,4S,5S)-5-vinylquinuclidin-2-yl)methanol |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 3.110 |
| Log Po/w (XLOGP3) : 2.680 |
| Log Po/w (WLOGP) : 2.460 |
| Log Po/w (MLOGP) : 2.590 |
| Log Po/w (SILICOS-IT) : 3.080 |
| Consensus Log Po/w : 2.780 |

