| Phytochemical Name : Nantenine |
| PCNDIDN0018 |
| Pubchem CID : 197001 |
| Molecular formula: C20H21NO4 |
| Canonical SMILES : CN1CCC2=CC(=C(C3=C2C1CC4=CC5=C(C=C43)OCO5)OC)OC |
Synonymes : Nantenine|O-Methyldomesticine|Domestine|Nantenin|2565-01-7|Domesticine, O-methyl-|(+)-Domestine|(+)-Nantenine|CCRIS 3807|CHEMBL179440|XE0AU8C122|CHEBI:68992|6a-alpha-Aporphine, 1,2-dimethoxy-9,10-(methylenedioxy)-|(12S)-18,19-dimethoxy-13-methyl-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,16,18-hexaene|4H-Benzo[de][1,3]benzodioxolo[5,6-g]quinoline, 5,6,6a,7-tetrahydro-1,2-dimethoxy-6-methyl-, (6aS)-|NANTEINE|UNII-XE0AU8C122|(+)-Domestine (Nantenine)|DOMESTICINE METHYL ETHER|SCHEMBL1254592|DTXSID70180343|BDBM50160160|NSC785161|DOMESTICINE METHYL ETHER [MI]|AKOS040762093|NSC-785161|LS-21472|C19985|Q13566119|6a.alpha.-Aporphine, 1,2-dimethoxy-9,10-(methylenedioxy)-|(S)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-9,11-dioxa-6-aza-benzo[fg]cyclopenta[b]anthracene|1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-benzo[de][1,3]benzodioxolo[5,6-g]quinoline-, (S)-|4H-BENZO(DE)(1,3)BENZODIOXOLO(5,6-G)QUINOLINE, 5,6,6A,7-TETRAHYDRO-1,2-METHOXY-6-METHYL-, (6AS)-|4H-Benzo[de][1,3]benzodioxolo[5,6-g]quinoline, 5,6,6a,7-tetrahydro-1,2-dimethoxy-6-methyl-, (S)- |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 3.540 |
| Log Po/w (XLOGP3) : 3.240 |
| Log Po/w (WLOGP) : 2.480 |
| Log Po/w (MLOGP) : 2.380 |
| Log Po/w (SILICOS-IT) : 3.790 |
| Consensus Log Po/w : 3.090 |

