Preferred Name

papaverine

Synonyms

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

Definitions

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.

ID

http://purl.obolibrary.org/obo/CHEBI_28241

charge

0

database_cross_reference

Drug_Central:2056

PDBeChem:EV1

MetaCyc:CPD-15742

Wikipedia:Papaverine

Reaxys:312930

PMID:11971205

KEGG:D07425

CAS:58-74-2

DrugBank:DB01113

HMDB:HMDB0015245

KNApSAcK:C00001899

PMID:24414229

LINCS:LSM-2338

KNApSAcK:C00027467

KEGG:C06533

formula

C20H21NO4

has role

http://purl.obolibrary.org/obo/CHEBI_53784

http://purl.obolibrary.org/obo/CHEBI_35620

has_alternative_id

CHEBI:7918

CHEBI:25852

has_exact_synonym

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

has_obo_namespace

chebi_ontology

id

CHEBI:28241

in_subset

http://purl.obolibrary.org/obo/chebi#3_STAR

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

label

papaverine

mass

339.38500

monoisotopicmass

339.147

notation

CHEBI:28241

prefLabel

papaverine

smiles

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

textual 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.

subClassOf

http://purl.obolibrary.org/obo/CHEBI_24922

http://purl.obolibrary.org/obo/CHEBI_22750

http://purl.obolibrary.org/obo/CHEBI_51681

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