loading...| Preferred Name |
|
|
| 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 |
Wikipedia:Papaverine LINCS:LSM-2338 PMID:24414229 KNApSAcK:C00001899 KNApSAcK:C00027467 KEGG:D07425 DrugBank:DB01113 PDBeChem:EV1 HMDB:HMDB0015245 Drug_Central:2056 Reaxys:312930 CAS:58-74-2 KEGG:C06533 PMID:11971205 MetaCyc:CPD-15742 |
|
| 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. |
|
| formula |
C20H21NO4 |
|
| has_alternative_id |
CHEBI:7918 CHEBI:25852 |
|
| has_exact_synonym |
1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline |
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| has_obo_namespace |
chebi_ontology |
|
| id |
CHEBI:28241 |
|
| in_subset | ||
| 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 |
339.14706 |
|
| notation |
CHEBI:28241 |
|
| smiles |
COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC |
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| subClassOf |