(S)-N-methylcoclaurine

(<i>S</i>)-<i>N</i>-methylcoclaurine




Chemical Formula:
C18H22NO3
Molecular Weight:
300.377 Daltons
Monoisotopic Mass:
300.1599685777 Daltons
SMILES:
C1([N+]([CH](C2(=C(C1)C=C(C(=C2)O)OC))CC3(=CC=C(C=C3)O))C)
InChI:
1S/C18H21NO3/c1-19-8-7-13-10-18(22-2)17(21)11-15(13)16(19)9-12-3-5-14(20)6-4-12/h3-6,10-11,16,20-21H,7-9H2,1-2H3/p+1/t16-/m0/s1
InChIKey:
BOKVLBSSPUTWLV-INIZCTEOSA-O

Synonyms
  • (S)-1,2,3,4-tetrahydro-1-[ (4-hydroxyphenyl)methyl ]-6-methoxy-2-methyl -7-isoquinolinol
  • (S)-1,2,3,4-Tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-7-isoquinolinol

Databases
MetaCyc:  S-N-METHYLCOCLAURINE
PubChem (CID):  6971065
HMDB:  HMDB60319
ChEBI:  57993 17041
ChemSpider:  5341945
KEGG:  C05176
CAS:  3423-07-2
Seed:  cpd03081
MetaNetX:  MNXM934
PupChem (SID):  7587
CHEMBL:  CHEMBL513109
KNApSAcK:  C00025268
3DMET:  B01819
NIKKAJI:  J351.144H