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

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ChEBI Name	2,3,9,10-tetrahydroxyberbine

ChEBI ID	CHEBI:31071

Definition	A berberine alkaloid that is berbine substituted by hydroxy groups at positions 2, 3, 9 and 10.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C17H17NO4

Net Charge

Average Mass

299.32120

Monoisotopic Mass

299.11576

InChI

InChI=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

InChIKey

TVKAUFJQMRSZFH-UHFFFAOYSA-N

SMILES

Oc1cc2CCN3Cc4c(CC3c2cc1O)ccc(O)c4O

Roles Classification
Biological Role(s):	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. (via alkaloid )

ChEBI Ontology
Outgoing	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

Registry Number	Type	Source
43264	Reaxys Registry Number	Reaxys

Last Modified

30 December 2013