| Phytochemical Name : Oxyberberine |
| PCNDIDO0046 |
| Pubchem CID : 11066 |
| Molecular formula: C20H17NO5 |
| Canonical SMILES : COC1=C(C2=C(C=C1)C=C3C4=CC5=C(C=C4CCN3C2=O)OCO5)OC |
Synonymes : Oxyberberine|Berlambine|549-21-3|8-Oxyberberine|Ketoberberine|Oxyberberin|8-Oxoberberine|JKL 1073A|JKL-1073A|8-BERBINONE, 13,13a-DIDEHYDRO-9,10-DIMETHOXY-2,3-(METHYLENEDIOXY)-|NSC93138|NSC 93138|UNII-4A04YKB3FT|9,10-Dimethoxy-2,3-(methylenedioxy)-13,13a-didehydro-8-berbinone|BRN 0339209|4A04YKB3FT|Berlambine; 8-Oxoberberine; Ketoberberine|NSC-93138|4-27-00-06654 (Beilstein Handbook Reference)|16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(21),2,4(8),9,15(20),16,18-heptaen-14-one|JKL1073A|8H-BENZO(G)-1,3-BENZODIOXOLO(5,6-A)QUINOLIZIN-8-ONE, 5,6-DIHYDRO-9,10-DIMETHOXY-|8H-Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizin-8-one, 5,6-dihydro-9,10-dimethoxy-|Prestwick_92|BERBERIN-8-ONE|Oxyberberine (Berlambine)|CHEMBL11531|SCHEMBL229912|DTXSID70203389|BCP23559|HY-N5027|BDBM50508730|AKOS037514568|AC-35010|LS-43479|MS-25426|CS-0032110|FT-0701411|E80779|Q27259321|Berbin-8-one, 13,13a-didehydro-9,10-dimethoxy-2,3-(methylenedioxy)-|9,10-Dimethoxy-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinolin-8-one|9,10-Dimethoxy-5,6-dihydro-8H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinolin-8-one # |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.280 |
| Log Po/w (XLOGP3) : 2.940 |
| Log Po/w (WLOGP) : 2.970 |
| Log Po/w (MLOGP) : 2.380 |
| Log Po/w (SILICOS-IT) : 3.650 |
| Consensus Log Po/w : 3.040 |