| Phytochemical Name : Veratramine |
| PCNDIDV0020 |
| Pubchem CID : 6070 |
| Molecular formula: C27H39NO2 |
| Canonical SMILES : CC1CC(C(NC1)C(C)C2=C(C3=C(C=C2)C4CC=C5CC(CCC5(C4C3)C)O)C)O |
Synonymes : VERATRAMINE|60-70-8|NSC 17821|NSC 23880|(3beta,23beta)-14,15,16,17-Tetradehydroveratraman-3,23-diol|HSDB 3545|NSC17821|NSC23880|BRN 0055515|UNII-RK363YG315|CHEBI:9951|C27H39NO2|RK363YG315|NSC-17821|NSC-23880|NSC17821;NSC23880|(2S,3R,5S)-2-[(1S)-1-[(3S,6aR,11aS,11bR)-3-hydroxy-10,11b-dimethyl-1,2,3,4,6,6a,11,11a-octahydrobenzo[a]fluoren-9-yl]ethyl]-5-methylpiperidin-3-ol|Veratraman-3,23-diol, 14,15,16,17-tetradehydro-, (3-beta,23-beta)-|5-21-05-00297 (Beilstein Handbook Reference)|(3beta,23R)-14,15,16,17-tetradehydroveratraman-3,23-diol|Veratraman-3,23-diol, 14,15,16,17-tetradehydro-, (3beta,23beta)-|Veratraman-3, 14,15,16,17-tetradehydro-, (3.beta.,23.beta.)-|WLN: L D6 B566 LU&TTTJ A1 E1 OQ FY1&- BT6MTJ CQ E1|14,15,16,17-Tetradehydroveratraman-3,23-diol|VERATRAMINE [MI]|SCHEMBL335680|CHEMBL464724|DTXSID40871534|HY-N0837|BDBM50396007|MFCD00468124|s3911|CCG-268761|(2S,3R,5S)-2-((S)-1-((3S,6aR,11aS,11bR)-3-hydroxy-10,11b-dimethyl-2,3,4,6,6a,11,11a,11b-octahydro-1H-benzo[a]fluoren-9-yl)ethyl)-5-methylpiperidin-3-ol|AC-33967|BS-17189|BCP0726000092|LS-162032|V0148|A868905|Q15427945|(3-beta,23-beta)-14,15,16,17-Tetradehydroveratraman-3,23-diol|(3beta,23beta)-14,15,16,17-Teradehydroveratraman-3,23-diol|(2S,3R,5S)-2-[(1S)-1-[(3S,6aR,11aS,11bR)-3-hydroxy-10,11b-dimethyl-1,2,3,4,6,6a,11,11a-octahydrobenzo[a]fluoren-9-yl]ethyl]-5-methyl-piperidin-3-ol|3-PIPERIDINOL, 5-METHYL-2-((1S)-1-((3S,6AR,11AS,11BR)-2,3,4,6,6A,11,11A,11B-OCTAHYDRO-3-HYDROXY-10,11B-DIMETHYL-1H-BENZO(A)FLUOREN-9-YL)ETHYL)-, (2S,3R,5S)-|NSC 23880; (2S,3R,5S)-5-Methyl-2-[(1S)-1-[(3S,6aR,11aS,11bR)-2,3,4,6,6a,11,11a,11b-octahydro-3-hydroxy-10,11b-dimethyl-1H-benzo[a]fluoren-9-yl]ethyl]-3-piperidinol; |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 3.960 |
| Log Po/w (XLOGP3) : 4.340 |
| Log Po/w (WLOGP) : 4.210 |
| Log Po/w (MLOGP) : 4.240 |
| Log Po/w (SILICOS-IT) : 4.760 |
| Consensus Log Po/w : 4.300 |

