| Phytochemical Name : (+)-Isoboldine |
| PCNDIDOT0049 |
| Pubchem CID : 133323 |
| Molecular formula: C19H21NO4 |
| Canonical SMILES : CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)O)O)OC |
Synonymes : Isoboldine|(+)-Isoboldine|d-Isoboldine|Isoteolin|(S)-Isoboldine|(S)-(+)-Isoboldine|UNII-M002E511AJ|Isoteoline|Izoteolin|M002E511AJ|NSC 113983|N-Methyllaurelliptine|3019-51-0|AI3-27548|CHEBI:5986|6aalpha-Aporphine-1,9-diol, 2,10-dimethoxy-|6a.alpha.-Aporphine-1,9-diol, 2,10-dimethoxy-|TNP00331|4H-Dibenzo(de,g)quinoline-1,9-diol, 5,6,6a,7-tetrahydro-2,10-dimethoxy-6-methyl-, (S)-|NSC-113983|2,10-Dimethoxy-6aalpha-aporphine-1,9-diol|(6aS)-2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1,9-diol|4H-Dibenzo[de,g]quinoline-1,9-diol, 5,6,6a,7-tetrahydro-2,10-dimethoxy-6-methyl-, (S)-|4H-DIBENZO(DE,G)QUINOLINE-1,9-DIOL, 5,6,6A,7-TETRAHYDRO-2,10-DIMETHOXY-6-METHYL-, (6AS)-|95508-61-5|ST057702|6aalpha-Aporphine-1,9-diol, 2,10-dimethoxy- (8CI)|ISOBOLDINE, (+)-|ISOBOLDINE , (+)-|CHEMBL462880|SCHEMBL12140647|DTXSID301045612|HY-N9794|NSC785158|AKOS024282718|NSC-785158|NCGC00017381-01|NCGC00017381-02|NCGC00142559-01|CS-0203854|C09541|Q15426252|2,10-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1,9-diol #|5,6,6aalpha,7-Tetrahydro-2,10-dimethoxy-6-methyl-4H-dibenzo[de,g]quinoline-1,9-diol|4H-Dibenzo(de,g)quinolinediol, 5,6,6a,7-tetrahydro-2,9(or 2,10)-dimethoxy-6-methyl-, (S)- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.180 |
| Log Po/w (XLOGP3) : 2.240 |
| Log Po/w (WLOGP) : 2.160 |
| Log Po/w (MLOGP) : 1.750 |
| Log Po/w (SILICOS-IT) : 2.950 |
| Consensus Log Po/w : 2.460 |