CHEBI:4331 - dauricine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name dauricine
ChEBI ID CHEBI:4331
Definition A bisbenzylisoquinoline alkaloid resulting from the formal oxidative dimerisation of 4-{[(1R)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}phenol by attachment of the phenolic oxygen of one molecule to the benzene ring of the second (ortho to the phenolic hydroxy group of the latter).
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
more structures >>
Wikipedia License
Waiting for wikipedia content
Read full article at Wikipedia
Formula C38H44N2O6
Net Charge 0
Average Mass 624.76580
Monoisotopic Mass 624.320
InChI InChI=1S/C38H44N2O6/c1-39-15-13-26-20-35(42-3)37(44-5)22-29(26)31(39)17-24-7-10-28(11-8-24)46-34-19-25(9-12-33(34)41)18-32-30-23-38(45-6)36(43-4)21-27(30)14-16-40(32)2/h7-12,19-23,31-32,41H,13-18H2,1-6H3/t31-,32-/m1/s1
InChIKey AQASRZOCERRGBL-ROJLCIKYSA-N
SMILES COc1cc2CCN(C)[C@H](Cc3ccc(Oc4cc(C[C@H]5N(C)CCc6cc(OC)c(OC)cc56)ccc4O)cc3)c2cc1OC
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing dauricine (CHEBI:4331) has role plant metabolite (CHEBI:76924)
dauricine (CHEBI:4331) is a aromatic ether (CHEBI:35618)
dauricine (CHEBI:4331) is a bisbenzylisoquinoline alkaloid (CHEBI:133004)
dauricine (CHEBI:4331) is a isoquinolines (CHEBI:24922)
dauricine (CHEBI:4331) is a phenols (CHEBI:33853)
dauricine (CHEBI:4331) is a tertiary amino compound (CHEBI:50996)
Incoming guattegaumerine (CHEBI:5568) has functional parent dauricine (CHEBI:4331)
IUPAC Name
4-{[(1R)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-2-(4-{[(1R)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}phenoxy)phenol
Synonym Source
Dauricine KEGG COMPOUND
Manual Xrefs Databases
C00001845 KNApSAcK
C00028131 KNApSAcK
C09419 KEGG COMPOUND
Dauricine Wikipedia
View more database links
Registry Numbers Types Sources
524-17-4 CAS Registry Number KEGG COMPOUND
524-17-4 CAS Registry Number ChemIDplus
75683 Beilstein Registry Number Beilstein
Last Modified
12 August 2016