| Phytochemical Name : Condelphine |
| PCNDIDC0231 |
| Pubchem CID : 441720 |
| Molecular formula: C25H39NO6 |
| Canonical SMILES : CCN1CC2(CCC(C34C2CC(C31)C5(CC(C6CC4C5C6OC(=O)C)OC)O)O)COC |
Synonymes : CONDELPHINE|7633-69-4|Codelphine|Coldephnine|Kondelfin|[(1S,2R,3R,4S,5R,6S,8S,9S,13S,16S,17R)-11-ethyl-8,16-dihydroxy-6-methoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] acetate|C25H39NO6|[(1S,2R,3R,4S,5R,6S,8S,9R,13S,16S,17R)-11-Ethyl-8,16-dihydroxy-6-methoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] acetate|Prestwick3_001083|BSPBio_001126|BPBio1_001240|C25-H39-N-O6|SCHEMBL970665|CHEBI:3852|DTXSID50997693|HMS2098I08|Aconitane-1,8,14-triol, 20-ethyl-16-methoxy-4-(methoxymethyl)-, 14-acetate, (1.alpha.,14.alpha.,16.beta.)-|AKOS030491254|NCGC00179296-01|AB00514035|C08671|BRD-A84941884-001-02-8|Q27106213|20-ethyl-1,8-dihydroxy-16-methoxy-4-(methoxymethyl)aconitan-14-yl acetate |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.490 |
| Log Po/w (XLOGP3) : 0.950 |
| Log Po/w (WLOGP) : 1.070 |
| Log Po/w (MLOGP) : 1.640 |
| Log Po/w (SILICOS-IT) : 1.490 |
| Consensus Log Po/w : 1.730 |