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CHEBI:31071 - 2,3,9,10-tetrahydroxyberbine

Default Structure
ChEBI IDCHEBI:31071
ChEBI Name2,3,9,10-tetrahydroxyberbine
Stars
DefinitionA berberine alkaloid that is berbine substituted by hydroxy groups at positions 2, 3, 9 and 10.
Last Modified30 December 2013
DownloadsMolfile
FormulaC17H17NO4
Net Charge0
Average Mass299.326
Monoisotopic Mass299.11576
SMILESOc1cc2c(cc1O)C1Cc3ccc(O)c(O)c3CN1CC2
InChIInChI=1S/C17H17NO4/c19-14-2-1-9-5-13-11-7-16(21)15(20)6-10(11)3-4-18(13)8-12(9)17(14)22/h1-2,6-7,13,19-22H,3-5,8H2
InChIKeyTVKAUFJQMRSZFH-UHFFFAOYSA-N
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
2,3,9,10-tetrahydroxyberbine (CHEBI:31071) has functional parent berbine (CHEBI:35611)
2,3,9,10-tetrahydroxyberbine (CHEBI:31071) has role metabolite (CHEBI:25212)
2,3,9,10-tetrahydroxyberbine (CHEBI:31071) is a berberine alkaloid (CHEBI:22754)
2,3,9,10-tetrahydroxyberbine (CHEBI:31071) is a organic heterotetracyclic compound (CHEBI:38163)
2,3,9,10-tetrahydroxyberbine (CHEBI:31071) is a polyphenol (CHEBI:26195)
IUPAC Name 
5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-2,3,9,10-tetrol
Manual XrefsDatabases
C12330KEGG COMPOUND
Registry NumbersSources
Reaxys:43264Reaxys