OntologiesslmclassesCHEBI:17079   
JSON document
(S)-3'-hydroxy-N-methylcoclaurineImported
http://purl.obolibrary.org/obo/CHEBI_17079

An isoquinoline alkaloid having a tetrahydroisoquinoline core with 3,4-dihydroxybenzyl, methoxy and hydroxy groups at the 1-, 6- and 7-positions respectively; major species at pH 7.3.

Defined bychebi
Also appears ingo
Exact Synonyms
(S)-3'-Hydroxy-N-methylcoclaurine
4-{[(1S)-7-hydroxy-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}benzene-1,2-diol
Related Synonyms
3'-hydroxy-(S)-N-methylcoclaurine
3'-Hydroxy-N-methyl-(S)-coclaurine
3'-hydroxy-N-methyl-(S)-coclaurine
class Information
charge

0

formula

C18H21NO4

has_dbxref

KEGG:C05202

has_obo_namespace

chebi_ontology

inchi

InChI=1S/C18H21NO4/c1-19-6-5-12-9-18(23-2)17(22)10-13(12)14(19)7-11-3-4-15(20)16(21)8-11/h3-4,8-10,14,20-22H,5-7H2,1-2H3/t14-/m0/s1

inchikey

DAUPWJBRVZCBQB-AWEZNQCLSA-N

in_subset

3_STAR

mass

315.36368

monoisotopicmass

315.14706

smiles

COc1cc2CCN(C)[C@@H](Cc3ccc(O)c(O)c3)c2cc1O

class Relations