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	ChemicalBook:CB21387988, ZINC000006090922

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