| Phytochemical Name : Berberrubine chloride |
| PCNDIDB0049 |
| Pubchem CID : 72703 |
| Molecular formula: C19H16ClNO4 |
| Canonical SMILES : COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)O.[Cl-] |
Synonymes : Berberrubine chloride|Berberrubine|15401-69-1|Beroline chloride|9-Berberoline chloride|Berberrubine (chloride)|17-methoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-16-ol;chloride|NSC96347|Chileninone|9-hydroxy-10-methoxy-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium chloride|5,6-Dihydro-9-hydroxy-10-methoxybenzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium chloride|Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,6-dihydro-9-hydroxy-10-methoxy-, chloride|Berbinium, 7,8,13,13a-tetradehydro-9-hydroxy-10-methoxy-2,3-(methylenedioxy)-, chloride|9-Hydroxy-10-methoxy-5,6-dihydro-[1,3]dioxolo-[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium chloride|Beberrubine Chloride|Berberrubine hydrochloride|C19H16NO4.Cl|BERBERRUBINE, DIHYDRATE|CHEMBL1223099|C19-H16-N-O4.Cl|CHEBI:175111|BCP29956|NSC 96347|NSC-96347|AKOS025149081|CCG-268127|AC-34896|AS-77884|LS-33661|HY-125850|CS-0009733|FT-0697742|Berberrubine chloride pound>>Beroline chloride|10.14272/GYFSYEVKFOOLFZ-UHFFFAOYSA-N.1|doi:10.14272/GYFSYEVKFOOLFZ-UHFFFAOYSA-N.1|Benzo[g]-1,6-a]quinolizium, 5,6-dihydro-9-hydroxy-10-methoxy-, chloride,|Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizium, 5,6-dihydro-9-hydroxy-10-methoxy-, chloride,|Berbinium,8,13,13a-tetradehydro-9-hydroxy-10-methoxy-2,3-(methylenedioxy)-, chloride |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : -1.930 |
| Log Po/w (XLOGP3) : 4.090 |
| Log Po/w (WLOGP) : -0.200 |
| Log Po/w (MLOGP) : 2.190 |
| Log Po/w (SILICOS-IT) : 3.210 |
| Consensus Log Po/w : 1.470 |