CHEBI:28241 - papaverine

ChEBI IDCHEBI:28241
ChEBI Namepapaverine
Stars
DefinitionA 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.
Secondary ChEBI IDsCHEBI:7918, CHEBI:25852
Last Modified22 February 2017
DownloadsMolfile
FormulaC20H21NO4
Net Charge0
Average Mass339.391
Monoisotopic Mass339.14706
SMILESCOc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC
InChIInChI=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
InChIKeyXQYZDYMELSJDRZ-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Applications:
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.
vasodilator agent  A drug used to cause dilation of the blood vessels.
ChEBI Ontology
Outgoing Relation(s)
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
Manual XrefsDatabases
C06533KEGG COMPOUND
CPD-15742MetaCyc
EV1PDBeChem
HMDB0015245HMDB
DB01113DrugBank
PapaverineWikipedia
C00027467KNApSAcK
D07425KEGG DRUG
C00001899KNApSAcK
LSM-2338LINCS
2056DrugCentral
Registry NumbersSources
Reaxys:312930Reaxys
CAS:58-74-2KEGG COMPOUND
CAS:58-74-2NIST Chemistry WebBook
CAS:58-74-2ChemIDplus
Citations