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CHEBI:145336 - (S)-codamine

ChEBI IDCHEBI:145336
ChEBI Name(S)-codamine
Stars
ASCII Name(S)-codamine
DefinitionA benzylisoquinoline alkaloid that is 1,2,3,4-tetrahydroisoquinolin-7-ol which is substituted by 3,4-dimethoxybenzyl, methyl, and methoxy groups at positions 1, 2, and 6, respectively (the 1S enantiomer).
Last Modified11 November 2019
SubmitterGareth Owen
DownloadsMolfile
FormulaC20H25NO4
Net Charge0
Average Mass343.423
Monoisotopic Mass343.17836
SMILESCOc1cc2c(cc1O)[C@H](Cc1ccc(OC)c(OC)c1)N(C)CC2
InChIInChI=1S/C20H25NO4/c1-21-8-7-14-11-19(24-3)17(22)12-15(14)16(21)9-13-5-6-18(23-2)20(10-13)25-4/h5-6,10-12,16,22H,7-9H2,1-4H3/t16-/m0/s1
InChIKeyOKORHWXYDBSYNO-INIZCTEOSA-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)
(S)-codamine (CHEBI:145336) is a aromatic ether (CHEBI:35618)
(S)-codamine (CHEBI:145336) is a benzylisoquinoline alkaloid (CHEBI:22750)
(S)-codamine (CHEBI:145336) is a benzyltetrahydroisoquinoline (CHEBI:26901)
(S)-codamine (CHEBI:145336) is a phenols (CHEBI:33853)
(S)-codamine (CHEBI:145336) is a tertiary amino compound (CHEBI:50996)
(S)-codamine (CHEBI:145336) is conjugate base of (S)-codamine(1+) (CHEBI:143148)
Incoming Relation(s)
(S)-codamine(1+) (CHEBI:143148) is conjugate acid of (S)-codamine (CHEBI:145336)
IUPAC Name 
(1S)-1-(3,4-dimethoxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol
Synonyms  Source
codamineChemIDplus
(S)-1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6-methoxy-2-methylisoquinolin-7-olChemIDplus
(S)-(+)-codamineKNApSAcK
L-(+)-codamineKNApSAcK
(+)-codamineKNApSAcK
7-desmethyllaudanosineChEBI
Manual XrefsDatabases
CPD-22271MetaCyc
HMDB0034593HMDB
FDB013109FooDB
C00025654KNApSAcK
Registry NumbersSources
CAS:21040-59-5ChemIDplus
Citations