| Phytochemical Name : Dicentrine |
| PCNDIDD0106 |
| Pubchem CID : 101300 |
| Molecular formula: C20H21NO4 |
| Canonical SMILES : CN1CCC2=CC3=C(C4=C2C1CC5=CC(=C(C=C54)OC)OC)OCO3 |
Synonymes : Dicentrine|517-66-8|d-Dicentrine|Dicentrin|Eximine|L-DICENTRINE|O,N-Dimethyllitseferine|(+)-dicentrine|Dicentrine-(+)|CCRIS 3806|28832-07-7|9,10-Dimethoxy-1,2-(methylenedioxy)aporphine|UNII-J2ZGT5M0N7|NSC 406035|BRN 0095476|J2ZGT5M0N7|CHEMBL464748|1,2-Methylenedioxy-9,10-dimethoxyaporphine|CHEBI:81079|NSC406035|NSC-406035|4-27-00-06486 (Beilstein Handbook Reference)|6aalpha-Aporphine, 9,10-dimethoxy-1,2-(methylenedioxy)-|9,10-Dimethoxy-1,2-(methylenedioxy)-6a.alpha.-aporphine|6a-alpha-Aporphine, 9,10-dimethoxy-1,2-(methylenedioxy)-|5H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinoline, 6,7,7a,8-tetrahydro-10,11-dimethoxy-7-methyl-, (S)-|5H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinoline, 6,7,7a,8-tetrahydro-10,11-dimethoxy-7-methyl-, (S)- (9CI)|5H-Benzo[g]-1,3-benzodioxolo[6,5,4-de]quinoline, 6,7,7a,8-tetrahydro-10,11-dimethoxy-7-methyl-, (S)-|CN1CCc2cc3OCOc3c4c5cc(OC)c(OC)cc5CC1c24|DICENTRINE [MI]|(R)-(-)-Dicentrine; L-Dicentrine; NSC 251699|(S)-form;(+)-Dicentrine|DICENTRINE, (+)-|9,2-(methylenedioxy)aporphine|SCHEMBL6369440|DICENTRINE D-FORM [MI]|DTXSID10199651|(12S)-16,17-dimethoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaene|HY-N6969|BDBM50306885|AKOS037514612|LS-21473|MS-25168|CS-0026026|C17426|Q-100578|Q15410930|6a.alpha.-Aporphine,10-dimethoxy-1,2-(methylenedioxy)-|5H-Benzo[g]-1,5,4-de]quinoline, 6,7,7a,8-tetrahydro-10,11-dimethoxy-7-methyl-, (S)-|(7aS)-6,7,7a,8-Tetrahydro-10,11-dimethoxy-7-methyl-5H-benzo[g]-1,3-benzodioxolo[6,5,4-de]quinoline|10,11-Dimethoxy-7-methyl-6,7,7a,8-tetrahydro-5H-[1,3]benzodioxolo[6,5,4-de]benzo[g]quinoline-, (S)-|5H-BENZO(G)-1,3-BENZODIOXOLO(6,5,4-DE)QUINOLINE, 6,7,7A,8-TETRAHYDRO-10,11-DIMETHOXY-7-METHYL-, (7AS)- |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : -37.030 |
| Log Po/w (XLOGP3) : 2.180 |
| Log Po/w (WLOGP) : 2.180 |
| Log Po/w (MLOGP) : 1.580 |
| Log Po/w (SILICOS-IT) : 0.740 |
| Consensus Log Po/w : -6.070 |

