| Phytochemical Name : CID 11953926 |
| PCNDIDC0139 |
| Pubchem CID : 11953926 |
| Molecular formula: C22H29N2O4+ |
| Canonical SMILES : CC=C1C[N+]2(CCC34C2(C(CC1C3(CO)C(=O)OC)O)NC5=CC=CC=C45)C |
Synonymes : Echitamine|C09152|Ditaine|Echetamine base|6871-44-9|C22H29N2O4|EINECS 229-968-4|C22-H29-N2-O4|NSC 296565|BRN 4164538|CHEBI:4751|(3-beta,16R)-3,17-dihydroxy-16-(methoxycarbonyl)-4-methyl-2,4(1H)-cyclo-3,4-secoakuammilanium|Q27106467|Methyl (1S,9R,10S,12S,13E,15S)-13-ethylidene-10-hydroxy-18-(hydroxymethyl)-15-methyl-8-aza-15-azoniapentacyclo[10.5.1.01,9.02,7.09,15]octadeca-2,4,6-triene-18-carboxylate |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : -0.880 |
| Log Po/w (XLOGP3) : 0.740 |
| Log Po/w (WLOGP) : 0.440 |
| Log Po/w (MLOGP) : -1.580 |
| Log Po/w (SILICOS-IT) : -0.570 |
| Consensus Log Po/w : -0.370 |