| Phytochemical Name : (-)-Dicentrine |
| PCNDIDOT0011 |
| Pubchem CID : 317843 |
| Molecular formula: C20H21NO4 |
| Canonical SMILES : CN1CCC2=CC3=C(C4=C2C1CC5=CC(=C(C=C54)OC)OC)OCO3 |
Synonymes : (-)-Dicentrine|Dicentrine, (-)-|L-DICENTRINE|28832-07-7|(R)-(-)-Dicentrine|NSC-251699|Dicentrine L-form [MI]|NSC251699|MLS000575015|UNII-5O9KK11109|5O9KK11109|SMR000156300|5H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinoline, 6,7,7a,8-tetrahydro-10,11-dimethoxy-7-methyl-, (7aR)-|(R)-10,11-dimethoxy-7-methyl-6,7,7a,8-tetrahydro-5H-[1,3]dioxolo[4',5':4,5]benzo[1,2,3-de]benzo[g]quinoline|NSC 251699|CN1CCc2cc3OCOc3c4c5cc(OC)c(OC)cc5CC1c24|DICENTRINE-(-)|CHEMBL478754|cid_317843|BDBM70841|HMS2223B12|AKOS040744558|NCGC00247614-01|NCI60_002017|Q27262635|5H-Benzo[g]-1,5,4-de]quinoline, 6,7,7a,8-tetrahydro-10,11-dimethoxy-7-methyl-, (R)-|(12R)-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 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.510 |
| 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 : 3.080 |