chempirical

Berberine

C20H18NO4+CAS 2086-83-1336.37 g/mol

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Properties

Molecular formula
C20H18NO4+
Molar mass
336.37 g/mol
Exact mass
336.1236 Da
Melting point
145 °C
logP
3.10Crippen estimate
Polar surface area
40.8 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Identifiers

CAS number
2086-83-1
SMILES
COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2
InChIKey
YBHILYKTIRIUTE-UHFFFAOYSA-N
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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

10 names
  • Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium, 5,6-dihydro-9,10-dimethoxy-
  • Umbellatine
  • Berbinium, 7,8,13,13a-tetradehydro-9,10-dimethoxy-2,3-(methylenedioxy)-
  • 5,6-Dihydro-9,10-dimethoxybenzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium
  • Berbericine
  • Berberin
  • Umbellatin
  • Thalsine
  • Majarine
  • Berberone

Work with Berberine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Berberine hydrochloride633-65-894 % similar Palmatine3486-67-787 % similar Neutral berberine sulfate316-41-683 % similar Palmatine chloride10605-02-482 % similar Berberine bisulfate633-66-980 % similar Coptisine sulfate1198398-71-877 % similar Columbamine3621-36-175 % similar Coptisine hydrochloride6020-18-473 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Epiberberine6873-09-2

Elsewhere

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