| Phytochemical Name : Epiberberine |
| PCNDIDE0031 |
| Pubchem CID : 160876 |
| Molecular formula: C20H18NO4+ |
| Canonical SMILES : COC1=C(C=C2C(=C1)CC[N+]3=C2C=C4C=CC5=C(C4=C3)OCO5)OC |
Synonymes : Epiberberine|6873-09-2|VWP9N35AYS|MLS000563434|SMR000232286|16,17-dimethoxy-5,7-dioxa-1-azoniapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaene|GNF-Pf-2355|DEHYDROSINACTINE|EPIBERBERINE ION|UNII-VWP9N35AYS|EPIBERBERINE CATION|Benz(a)-1,3-benzodioxolo(4,5-g)quinolizinium, 11,12-dihydro-8,9-dimethoxy-|EPIBERBERINE [WHO-DD]|cid_160876|CHEMBL1197637|BDBM50986|DTXSID90218854|HMS2229E04|HMS3358O04|HY-N0226|s9152|AKOS025149077|CCG-267871|NCGC00247623-01|FT-0688286|A14760|11,12-DIHYDRO-8,9-DIMETHOXYBENZO(A)-1,3-BENZODIOXOLO(4,5-G)QUINOLIZINIUM|8,9-Dimethoxy-11,12-dihydro-[1,3]dioxolo[4,5-h]isoquinolino[2,1-b]isoquinolin-13-ium|8,9-dimethoxy-11,12-dihydro-2H-[1,3]dioxolo[4,5-h]isoquinolino[2,1-b]isoquinolin-13-ium|BENZO(A)-1,3-BENZODIOXOLO(4,5-G)QUINOLIZINIUM, 11,12-DIHYDRO-8,9-DIMETHOXY-|EWV |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : -0.120 |
| Log Po/w (XLOGP3) : 3.620 |
| Log Po/w (WLOGP) : 3.100 |
| Log Po/w (MLOGP) : 2.190 |
| Log Po/w (SILICOS-IT) : 3.740 |
| Consensus Log Po/w : 2.500 |