| Phytochemical Name : Emetine |
| PCNDIDE0020 |
| Pubchem CID : 10219 |
| Molecular formula: C29H40N2O4 |
| Canonical SMILES : CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4)OC)OC)OC)OC |
Synonymes : EMETINE|Emetin|Cephaeline methyl ether|483-18-1|Methyl cephaeline|6',7',10,11-Tetramethoxyemetan|Emetine [BAN]|(-)-Emetine|Ipecine|Methylcephaeline|Cephaline-O-methyl ether|Emetine hydrochloride|Emetan, 6',7',10,11-tetramethoxy-|Emetinum|HSDB 2150|TCMDC-125531|NSC-33669|EINECS 207-592-1|UNII-X8D5EPO80M|BRN 0100829|X8D5EPO80M|CHEMBL50588|CHEBI:4781|GNF-PF-196|DTXSID5022980|C29H40N2O4|Emetine dihydrochloride hydrate|(2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine|DTXCID402980|(2S,3R,11bS)-3-Ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2-[[(1R)-1,2,3,4-tetrahydro-6,7-dimethoxy-1-isoquinolinyl]methyl]-2H-benzo[a]quinolizine|2H-Benzo(a)quinolizine, 3-ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2-((1,2,3,4-tetrahydro-6,7-dimethoxy-1-isoquinolyl)methyl)-|CAS-483-18-1|6',7',10,11-tetrakis(methyloxy)emetan|NSC33669|SR-01000000081|SR-01000075853|NCGC00024379-04|6',7',10,11-Tetramethoxy-emetan|EMETINE [VANDF]|EMETINUM [HPUS]|EMETINE [HSDB]|EMETINE [MI]|Prestwick3_000570|EMETINE [WHO-DD]|CBiol_002059|Lopac0_000460|SCHEMBL56277|BSPBio_000360|BPBio1_000396|BDBM38871|cid_6603320|GTPL11087|Bio1_000345|Bio1_000834|Bio1_001323|HY-B1479|Tox21_110901|BDBM50216297|STL565152|6'',7'',10,11-tetramethoxyemetan|AKOS037623356|C29-H40-N2-O4|Tox21_110901_1|CCG-204552|DB13393|SDCCGSBI-0050445.P002|NCGC00024379-05|NCGC00024379-06|NCGC00024379-07|NCGC00024379-08|NCGC00024379-09|NCGC00024379-10|NCGC00024379-11|NCGC00024379-12|NCGC00024379-13|NCGC00024379-14|NCGC00024379-16|NCGC00024379-17|NCGC00024379-24|NCGC00024379-25|LS-40213|NCI60_002959|CS-0013180|C09421|Q3050386|SR-01000000081-3|SR-01000000081-5|SR-01000075853-5|BRD-K03067624-001-01-5|BRD-K03067624-300-02-9|Emetine hydrochloride, European Pharmacopoeia (EP) Reference Standard|Emetine hydrochloride, United States Pharmacopeia (USP) Reference Standard|2H-BENZO(A)QUINOLIZINE, 3-ETHYL-1,3,4,6,7,11B-HEXAHYDRO-9,10-DIMETHOXY-2-(((1R)-1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-1-ISOQUINOLINYL)METHYL)-, (2S,3R,11BS)-|2H-Benzo[a]quinolizine, 3-ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2-[[(1R)-1,2,3,4-tetrahydro-6,7-dimethoxy-1-isoquinolinyl]methyl]-(2S,3R,11bS)- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 4.670 |
| Log Po/w (XLOGP3) : 4.740 |
| Log Po/w (WLOGP) : 3.530 |
| Log Po/w (MLOGP) : 3.040 |
| Log Po/w (SILICOS-IT) : 4.980 |
| Consensus Log Po/w : 4.190 |