| Phytochemical Name : Lobeline |
| PCNDIDL0086 |
| Pubchem CID : 101616 |
| Molecular formula: C22H27NO2 |
| Canonical SMILES : CN1C(CCCC1CC(=O)C2=CC=CC=C2)CC(C3=CC=CC=C3)O |
Synonymes : lobeline|(-)-Lobeline|alpha-Lobeline|Lobelinum|Lobnico|90-69-7|Lobelin|8,10-Diphenyllobelionol|Lobelina|Inflatine|Lobeline [INN]|.alpha.-Lobeline|Lobeline [INN:BAN]|Lobelinum [INN-Latin]|Lobelina [INN-Spanish]|2-(6-(2-Hydroxy-2-phenylethyl)-1-methyl-2-piperidinyl)-1-phenylethanone|UNII-D0P25S3P81|CHEMBL122270|DTXSID3023219|CHEBI:48723|2-(6-(beta-Hydroxyphenethyl)-1-methyl-2-piperidyl)acetophenone|D0P25S3P81|Lobeline (INN)|EINECS 202-012-3|2-[(2R,6S)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]-1-phenylethanone|2-{(2R,6S)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl}-1-phenylethanone|NSC-757421|BRN 0091533|NCGC00024378-05|Alpha-Lobeline HCl|2-((2R,6S)-6-((S)-2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl)-1-phenylethan-1-one|5-21-12-00627 (Beilstein Handbook Reference)|Ethanone, 2-(6-(2-hydroxy-2-phenylethyl)-1-methyl-2-piperidinyl)-1-phenyl-, (2R-(2alpha,6alpha(S*)))-|2-[6-(beta-hydroxyphenethyl)-1-methyl-2-piperidyl]acetophenone|lobelin-|SR-01000075960|2-[(2R,6S)-6-[(2S)-2-Hydroxy-2-phenylethyl]-1-methyl-2-piperidinyl]-1-phenylethanone|2-((2R,6S)-6-((2S)-2-HYDROXY-2-PHENYLETHYL)-1-METHYL-2-PIPERIDINYL)-1-PHENYLETHANONE|Ethanone, 2-[6-(2-hydroxy-2-phenylethyl)-1-methyl-2-piperidinyl]-1-phenyl-, [2R-[2alpha,6alpha(S*)]]-|L0B|LOBELINE [MI]|LOBELINUM [HPUS]|Prestwick0_000585|Prestwick1_000585|Prestwick2_000585|Prestwick3_000585|LOBELINE [WHO-DD]|Lopac0_000698|BSPBio_000430|SCHEMBL290803|SPBio_002649|BPBio1_000474|DTXCID603219|Tox21_110900|BDBM50080818|AKOS024278800|CCG-204783|DB05137|NSC 757421|SDCCGSBI-0050676.P002|CAS-90-69-7|NCGC00024378-06|NCGC00024378-07|NCGC00024378-08|NCGC00024378-09|NCGC00024378-10|NCGC00024378-14|AB00489926|C07475|D02364|Q421905|SR-01000075960-5|BRD-K66206289-003-03-1|BRD-K66206289-003-09-8|2-(6-(beta-Hydroxy-phenethyl)-1-methyl-2-piperidyl)acetophenone|2-(6-(.BETA.-HYDROXYPHENETHYL)-1-METHYL-2-PIPERIDYL)ACETOPHENONE |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 3.320 |
| Log Po/w (XLOGP3) : 3.760 |
| Log Po/w (WLOGP) : 3.530 |
| Log Po/w (MLOGP) : 2.950 |
| Log Po/w (SILICOS-IT) : 4.010 |
| Consensus Log Po/w : 3.510 |

