papaverine (CHEBI:28241)

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ChEBI Name	papaverine

ChEBI ID	CHEBI:28241

Definition	A benzylisoquinoline alkaloid that is isoquinoline substituted by methoxy groups at positions 6 and 7 and a 3,4-dimethoxybenzyl group at position 1. It has been isolated from Papaver somniferum.

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

Secondary ChEBI IDs	CHEBI:25852, CHEBI:7918

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Formula

C20H21NO4

Net Charge

Average Mass

339.38500

Monoisotopic Mass

339.14706

InChI

InChI=1S/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4H3

InChIKey

XQYZDYMELSJDRZ-UHFFFAOYSA-N

SMILES

COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC

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 )

Application(s):	vasodilator agent A drug used to cause dilation of the blood vessels. antispasmodic drug A drug that suppresses spasms. These are usually caused by smooth muscle contraction, especially in tubular organs. The effect is to prevent spasms of the stomach, intestine or urinary bladder.

ChEBI Ontology
Outgoing	papaverine (CHEBI:28241) has role antispasmodic drug (CHEBI:53784) papaverine (CHEBI:28241) has role vasodilator agent (CHEBI:35620) papaverine (CHEBI:28241) is a benzylisoquinoline alkaloid (CHEBI:22750) papaverine (CHEBI:28241) is a dimethoxybenzene (CHEBI:51681) papaverine (CHEBI:28241) is a isoquinolines (CHEBI:24922)

IUPAC Name

1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline

Last Modified

22 February 2017