| Phytochemical Name : Piperolein B |
| PCNDIDP0129 |
| Pubchem CID : 21580213 |
| Molecular formula: C21H29NO3 |
| Canonical SMILES : C1CCN(CC1)C(=O)CCCCCCC=CC2=CC3=C(C=C2)OCO3 |
Synonymes : Piperolein B|PIPERROLEIN B|Piperoleine B|30505-89-6|D03YAG|CHEMBL256214|MEGxp0_000205|SCHEMBL15471329|ACon1_000259|CHEBI:177772|DTXSID101317592|BDBM50479140|NCGC00180733-01|BRD-K04771916-001-01-8|(8E)-9-(1,3-Benzodioxol-5-yl)-1-(1-piperidinyl)-8-nonen-1-one|(E)-9-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylnon-8-en-1-one|Piperidine, 1-[(8E)-9-(1,3-benzodioxol-5-yl)-1-oxo-8-nonenyl]-|(8E)-9-(2H-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)non-8-en-1-one|(E)-9-(benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)non-8-en-1-one|8-Nonen-1-one, 9-(1,3-benzodioxol-5-yl)-1-(1-piperidinyl)-, (8E)-|Piperidine, 1-[9-(1,3-benzodioxol-5-yl)-1-oxo-8-nonenyl]-, (E)-|Piperidine, 1-[9-[3,4-(methylenedioxy)phenyl]-8-nonenoyl]-, (E)-|NCGC00180733-02!(E)-9-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylnon-8-en-1-one |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 4.170 |
| Log Po/w (XLOGP3) : 5.250 |
| Log Po/w (WLOGP) : 4.290 |
| Log Po/w (MLOGP) : 3.390 |
| Log Po/w (SILICOS-IT) : 5.140 |
| Consensus Log Po/w : 4.450 |