CHEBI:28241 - papaverine

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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 0
Average Mass 339.38500
Monoisotopic Mass 339.147
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.
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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
Database Links Databases
2056 DrugCentral
C00001899 KNApSAcK
C00027467 KNApSAcK
C06533 KEGG COMPOUND
CPD-15742 MetaCyc
D07425 KEGG DRUG
DB01113 DrugBank
EV1 PDBeChem
HMDB0015245 HMDB
LSM-2338 LINCS
Papaverine Wikipedia
View more database links
Registry Numbers Types Sources
312930 Reaxys Registry Number Reaxys
58-74-2 CAS Registry Number KEGG COMPOUND
58-74-2 CAS Registry Number NIST Chemistry WebBook
58-74-2 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
11971205 PubMed citation Europe PMC
24414229 PubMed citation Europe PMC
Last Modified
22 February 2017