Berberine
Berberine Structure
Systematic / IUPAC Name: 9,10-Dimethoxy-5,6-dihydro[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium
ID: Reference891
Other Names:
7,8,13,13a-Tetradehydro-9,10-dimethoxy-2,3-(methylenedioxy)berbinium;
9,10-Dimethoxy-5,6-dihydro[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinolin-7-ium;
5,6-Dihydro-9,10-dimethoxybenzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium;
9,10-Dimethoxy-2,3-(methylenedioxy)-7,8,13,13a-tetradehydroberbinium;
Berberin
; more
Formula: C20H18NO4 +
Class: Endogenous Metabolites Natural Products/Medicines
Spectral Data
Berberine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Elite |
| No. of Spectral Trees | 1 |
| No. of Spectra | 270 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 3/25/2015 9:03:39 AM |
Identificators
| InChI | InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1 |
| InChI Key | YBHILYKTIRIUTE-UHFFFAOYSA-N |
| Canonical SMILES | COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC |
| CAS | |
| Splash | |
| Other Names |
7,8,13,13a-Tetradehydro-9,10-dimethoxy-2,3-(methylenedioxy)berbinium; 9,10-Dimethoxy-5,6-dihydro[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinolin-7-ium; 5,6-Dihydro-9,10-dimethoxybenzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium; 9,10-Dimethoxy-2,3-(methylenedioxy)-7,8,13,13a-tetradehydroberbinium; Berberin; Umbellatine; Majarine; Thalsine; Berberal; Berbericine; Umbellatin |
In Other Databases
| ChEMBL | CHEMBL295124 |
| PubChem | 2353 |
| Wikipedia | Berberine |
| HMDb | HMDB03409 |
| KEGG | C00757; D00092 |
| ChEBI | CHEBI:16118 |
| ChemIDPlus | 002086831; 004263847 |
| ChemSpider | 2263 |