| Phytochemical Name : Curine |
| PCNDIDC0291 |
| Pubchem CID : 253793 |
| Molecular formula: C36H38N2O6 |
| Canonical SMILES : CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C6C(CC7=CC(=C(C=C7)O)O3)N(CCC6=CC(=C5O)OC)C)OC |
Synonymes : Curine|(-)-Bebeerine|436-05-5|(-)-Curine|l-Curine|L-Bebeerine|1-Bebeerine|1-Curine|CHONODOENDRINE (L)|Aristolochine (C36 alkaloid)|MLS000069827|UNII-6037FRH2SX|SMR000058852|6037FRH2SX|EINECS 207-109-4|NSC 77034|NSC-77034|(1beta)-(+-)-6,6'-Dimethoxy-2,2'-dimethyltubocuran-7',12'-diol|Tubocuran-7',12'-diol, 6,6'-dimethoxy-2,2'-dimethyl-, (1beta)-(+-)-|26057-51-2|(11R,51R)-16,56-dimethoxy-12,52-dimethyl-11,12,13,14,51,52,53,54-octahydro-2,6-dioxa-1(7,1),5(1,8)-diisoquinolina-3(1,3),7(1,4)-dibenzenacyclooctaphane-36,57-diol|(1R,16R)-10,25-dimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.118,22.027,31.016,34]hexatriaconta-3(36),4,6(35),8(34),9,11,18(33),19,21,24,26,31-dodecaene-9,21-diol|13H-4,6:21,24-Dietheno-8,12-metheno-1H-pyrido(3',2':14,15)(1,11)dioxacycloeicosino(2,3,4-ij)isoquinoline-9,19-diol, 2,3,13a,14,15,16,25,25a-octahydro-18,29-dimethoxy-1,14-dimethyl-, (13aR,25aR)-|(-)-Bebeerin|Opera_ID_264|CURINE [MI]|MLS001148225|cid_253793|CHEMBL1169627|BDBM41947|DTXSID50893489|CHEBI:188551|HMS2235K06|MCMC-10271|HY-N2569|NSC77034|(-)-Bebeerine, ~95% (TLC)|MFCD00083250|AKOS015896767|NCGC00247017-01|NCGC00247017-02|AC-35118|CS-0022905|1.beta.-Tubocurarine, 2'-demethyl-, (.+.)-|Q27263150|Tubocuraran-7', 6,6'-dimethoxy-2,2'-dimethyl-, (1.beta.)-|(1-beta)-6,6'-dimethoxy-2,2'-dimethyltubocuraran-7',12'-diol|Tubocuraran-7',12'-diol, 6,6'-dimethoxy-2,2'-dimethyl-, (1.beta.)-|Tubocuraran-7',12'-diol, 6,6'-dimethoxy-2,2'-dimethyl-, (1beta)-|Tubocuraran-7',12'-diol, 6,6'-dimethoxy-2,2'-dimethyl-, (1.beta.)-(.+.)-|(13AR,25AR)-2,3,13A,14,15,16,25,25A-OCTAHYDRO-18,29-DIMETHOXY-1,14-DIMETHYL-13H-4,6:21,24-DIETHENO-8,12-METHENO-1H-PYRIDO(3',2':14,15)(1,11)DIOXACYCLO-EICOSINO(2,3,4-IJ)ISOQUINOLINE-9,19-DIOL |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 4.710 |
| Log Po/w (XLOGP3) : 6.010 |
| Log Po/w (WLOGP) : 5.150 |
| Log Po/w (MLOGP) : 3.370 |
| Log Po/w (SILICOS-IT) : 4.950 |
| Consensus Log Po/w : 4.840 |

