| Phytochemical Name : Cyclobuxine D |
| PCNDIDC0307 |
| Pubchem CID : 260437 |
| Molecular formula: C25H42N2O |
| Canonical SMILES : CC(C1C(CC2(C1(CCC34C2CCC5C3(C4)CCC(C5=C)NC)C)C)O)NC |
Synonymes : Cyclobuxine D|Cyclobuxine|2241-90-9|UNII-RP83EW60V2|RP83EW60V2|NSC-91720|CYCLOBUXINE-D|NSC-102244|NSC 91720|(1S,3R,6S,8R,11S,12S,14R,15S,16R)-12,16-dimethyl-6-(methylamino)-15-[(1S)-1-(methylamino)ethyl]-7-methylidenepentacyclo[9.7.0.01,3.03,8.012,16]octadecan-14-ol|9,19-Cyclopregnan-16-ol, 14-methyl-3,20-bis(methylamino)-4-methylene-, (3.beta.,5.alpha.,16.alpha.,20S)-|C25-H42-N2-O|CYCLOBUXINE D [MI]|CHEBI:3999|SCHEMBL4998841|DTXSID101046371|(3-beta,5-alpha,16-alpha,20S)-14-Methyl-3,20-bis(methylamino)-4-methylene-9,19-cyclopregnan-16-ol|9,19-Cyclo-5-alpha,9-beta-pregnan-16-alpha-ol, 14-methyl-3-beta,20-alpha-bis(methylamino)-4-methylene-|9,19-Cyclo-5.alpha.,9.beta.-pregnan-16.alpha.-ol, 14-methyl-3.beta.,20.alpha.-bis(methylamino)-4-methylene-|9,19-Cyclo-5alpha,9beta-pregnan-16alpha-ol, 14-methyl-3beta,20alpha-bis(methylamino)-4-methylene-|9,19-Cyclopregnan-16-ol, 14-methyl-3,20-bis(methylamino)-4-methylene-, (3beta,5alpha,16alpha,20S)-|HY-N4080|NSC91720|AKOS040732894|CS-0032070|Q25110141|9, 14-methyl-3,20-bis(methylamino)-4-methylene-, (3.beta.,5.alpha.,16.alpha.,20S)-|(3.BETA.,5.ALPHA.,16.ALPHA.,20S)-14-METHYL-3,20-BIS(METHYLAMINO)-4-METHYLENE-9,19-CYCLOPREGNAN-16-OL|9,9.beta.-pregnan-16.alpha.-ol, 14-methyl-3.beta.,20.alpha.-bis(methylamino)-4-methylene- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.960 |
| Log Po/w (XLOGP3) : 4.790 |
| Log Po/w (WLOGP) : 4.120 |
| Log Po/w (MLOGP) : 4.130 |
| Log Po/w (SILICOS-IT) : 4.150 |
| Consensus Log Po/w : 4.230 |