Feedback

(S)-N-methylcoclaurine

Properties

Image

Occurences in reactions

MNX_ID

MNXM934

	#reac
in my sandbox	0
in MNXref (generic)	16
in models (compartimentalized)	0

formula

C₁₈H₂₂NO₃

charge

mass

300.15942

reference

chebi:57993

InChIKey

BOKVLBSSPUTWLV-INIZCTEOSA-O

InChI

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

SMILES

COc1cc2c(cc1O)[C@H](Cc1ccc(O)cc1)[NH+](C)CC2

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57993 chebi:57993	(S)-N-methylcoclaurine (1S)-7-hydroxy-1-(4-hydroxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolinium (S)-N-methylcoclaurinium cation (S)-N-methylcoclaurinium(1+)
hmdb:HMDB0060319	(S)-N-Methylcoclaurine (1S)-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol (S)-1,2,3,4-Tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-7-isoquinolinol (S)-N-methylcoclaurine
sabiork.compound:7787 sabiorkM:7787	(S)-N-Methylcoclaurine (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
seed.compound:cpd03081 seedM:cpd03081	(S)-N-Methylcoclaurine (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 (S)-1,2,3,4-tetrahydro-1-[ (4-hydroxyphenyl)methyl ]-6-methoxy-2-methyl -7-isoquinolinol (S)-N-methylcoclaurine
kegg.compound:C05176 keggC:C05176	(S)-N-Methylcoclaurine (S)-1,2,3,4-Tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-7-isoquinolinol
CHEBI:17041 chebi:17041	(S)-N-methylcoclaurine (1S)-1-(4-hydroxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol (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 (S)-N-Methylcoclaurine
metacyc.compound:S-N-METHYLCOCLAURINE metacycM:S-N-METHYLCOCLAURINE	(S)-N-methylcoclaurine (S)-1,2,3,4-tetrahydro-1-[ (4-hydroxyphenyl)methyl ]-6-methoxy-2-methyl -7-isoquinolinol
hmdb:HMDB60319 chebi:11056 chebi:11057 chebi:18768 chebi:430 keggC:M_C05176 seedM:M_cpd03081	secondary/obsolete/fantasy identifier