Chelerythrine chloride (CHEBI:201466)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Chelerythrine chloride

ChEBI ID	CHEBI:201466

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C21H18NO4.Cl

Net Charge

Average Mass

383.830

Monoisotopic Mass

383.09244

InChI

InChI=1S/C21H18NO4.ClH/c1-22-10-16-13(6-7-17(23-2)21(16)24-3)14-5-4-12-8-18-19(26-11-25-18)9-15(12)20(14)22;/h4-10H,11H2,1-3H3;1H/q+1;/p-1

InChIKey

WEEFNMFMNMASJY-UHFFFAOYSA-M

SMILES

[Cl-].O1C=2C(=CC3=CC=C4C(=C3C2)[N+](=CC5=C(OC)C(OC)=CC=C45)C)OC1

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	Chelerythrine chloride (CHEBI:201466) is a benzophenanthridine alkaloid (CHEBI:38517)

IUPAC Name

1,2-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium;chloride

Last Modified

10 January 2024