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CHEBI:195380 - 1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline

ChEBI IDCHEBI:195380
ChEBI Name1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
Stars
DefinitionA benzylisoquinoline alkaloid that is norlaudanosoline in which the four phenolic hydrogens have been replaced by methyl groups.
Last Modified17 July 2023
SubmitterAdnan
DownloadsMolfile
FormulaC20H25NO4
Net Charge0
Average Mass343.423
Monoisotopic Mass343.17836
SMILESCOc1ccc(CC2NCCc3cc(OC)c(OC)cc32)cc1OC
InChIInChI=1S/C20H25NO4/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/h5-6,10-12,16,21H,7-9H2,1-4H3
InChIKeyYXWQTVWJNHKSCC-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline (CHEBI:195380) is a aromatic ether (CHEBI:35618)
1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline (CHEBI:195380) is a benzylisoquinoline alkaloid (CHEBI:22750)
1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline (CHEBI:195380) is a benzyltetrahydroisoquinoline (CHEBI:26901)
1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline (CHEBI:195380) is a polyether (CHEBI:46774)
1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline (CHEBI:195380) is a secondary amino compound (CHEBI:50995)
Incoming Relation(s)
(R)-tetrahydropapaverine (CHEBI:136735) is a 1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline (CHEBI:195380)
(S)-tetrahydropapaverine (CHEBI:195379) is a 1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline (CHEBI:195380)
IUPAC Name 
1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
Synonyms  Source
1,2,3,4-tetrahydropapaverineChEBI
tetrahydropapaverineChEBI
1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxyisoquinolineChEBI