berberine
Chemical Formula:
C20H18NO4
Molecular Weight:
336.366 Daltons
Monoisotopic Mass:
336.1235830714 Daltons
SMILES:
COC5(=C(OC)C4(=C[N+]3(CCC2(=CC1(=C(OCO1)C=C2C=3C=C4C=C5)))))
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
InChIKey:
Synonyms
- umbellatine
Databases
MetaCyc:
BERBERINE
MetaboLights:
MTBLC16118
HMDB:
HMDB03409
DRUGBANK:
DB04115
ChemSpider:
2263
ChEBI:
16118
PubChem (CID):
2353
KEGG:
C00757
CAS:
2086-83-1
RefMet:
Berberine
Seed:
cpd00563
MetaNetX:
MNXM1416