| Phytochemical Name : Boldine |
| PCNDIDB0126 |
| Pubchem CID : 10154 |
| Molecular formula: C19H21NO4 |
| Canonical SMILES : CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)O)OC)O |
Synonymes : Boldine|476-70-0|Uniboldina|Boldin|(S)-Boldine|Boldine chloroform|1,10-Dimethoxy-2,9-dihydroxyaporphine|(+)-Boldine|NSC 65689|EINECS 207-509-9|1,10-Dimethoxy-6a-alpha-aporphine-2,9-diol|2,9-Dihydroxy-1,10-dimethoxyaporphine|BRN 0094036|UNII-8I91GE2769|(S)-(+)-Boldine|8I91GE2769|(6aS)-1,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol|CHEBI:3148|CHEMBL388342|6aalpha-Aporphine-2,9-diol, 1,10-dimethoxy-|5-21-06-00118 (Beilstein Handbook Reference)|4H-Dibenzo(de,g)quinoline-2,9-diol, 5,6,6a,7-tetrahydro-1,10-dimethoxy-6-methyl-, (S)-|6a-alpha-APORPHINE-2,9-DIOL, 1,10-DIMETHOXY-|2,6-dihydroxy-3,5-dimethoxyaporphine|1,10-dimethoxy-6aalpha-aporphine-2,9-diol|(S)-1,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol|4H-Dibenzo(de,g)quinoline-2,9-diol, 5,6,6a,7-tetrahydro-1,10-dimethoxy-6-methyl-, (6aS)-|4H-Dibenzo[de,g]quinoline-2,9-diol, 5,6,6a,7-tetrahydro-1,10-dimethoxy-6-methyl-, (6aS)-|BOLDINE (EP MONOGRAPH)|BOLDINE [EP MONOGRAPH]|Boldine--chloroform|NSC-65689|(6AS)-5,6,6A,7-TETRAHYDRO-1,10-DIMETHOXY-6-METHYL-4H-DIBENZO(DE,G)QUINOLINE-2,9-DIOL|(+)-(S)-Boldine|ex Peumus boldus|Aprophine alkaloid|(6aS)-5,6,6a,7-Tetrahydro-1,10-dimethoxy-6-methyl-4H-dibenzo[de,g]quinoline-2,9-diol|4H-Dibenzo[de,g]quinoline-2,9-diol, 5,6,6a,7-tetrahydro-1,10-dimethoxy-6-methyl-, (S)-|Prestwick_46|BOLDINE [MI]|Prestwick3_000600|BOLDINE [WHO-DD]|Boldine, analytical standard|BSPBio_000480|cid_10154|MLS002153899|SCHEMBL177550|BPBio1_000528|cid_248507|DTXSID40883394|5,6,6a,7-Tetrahydro-1,10-dimethoxy-6-methyl-4H-dibenzo[de,g]quinoline-2,9-diol|HMS2096H22|HMS2235B04|HY-N6973|TNP00245|BDBM50202318|MFCD00135040|s9050|ZB1855|Boldine, analytical reference material|AKOS015912953|CCG-208461|NCGC00016454-01|NCGC00016454-02|NCGC00017314-01|NCGC00179547-01|AC-34043|AS-17759|CAS-476-70-0|LS-21477|SMR001233248|CS-0013445|C09365|1,10-Dimethoxy-6a-.alpha.-aporphine-2,9-diol|6a.alpha.-Aporphine-2,9-diol, 1,10-dimethoxy-|A872092|Q2070105|1,10-DIMETHOXY-6A.ALPHA.-APORPHINE-2,9-DIOL|BRD-K03440695-001-02-6|Boldine, European Pharmacopoeia (EP) Reference Standard|1,10-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol, (S)- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.930 |
| Log Po/w (XLOGP3) : 2.720 |
| Log Po/w (WLOGP) : 2.160 |
| Log Po/w (MLOGP) : 1.750 |
| Log Po/w (SILICOS-IT) : 2.950 |
| Consensus Log Po/w : 2.500 |