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N-methylpavine

PropertiesImage
MNX_IDMNXM30257 Image of MNXM30257
referencechebi:76922
formulaC21H26NO4
global charge1
mol weight356.442
InChIKeyQEOWCPFWLCIQSL-UHFFFAOYSA-O
InChIInChI=1S/C21H25NO4/c1-22-16-6-12-8-18(23-2)20(25-4)10-14(12)17(22)7-13-9-19(24-3)21(26-5)11-15(13)16/h8-11,16-17H,6-7H2,1-5H3/p+1
SMILESCOC1=CC2=C(C=C1OC)C1CC3=C(C=C(OC)C(OC)=C3)C(C2)[NH+]1C
MNX internals
InChI (mnx)InChI=1/C21H25NO4/c1-22-16-6-12-8-18(23-2)20(25-4)10-14(12)17(22)7-13-9-19(24-3)21(26-5)11-15(13)16/h8-11,16-17H,6-7H2,1-5H3/t16?,17? Image of MNXM30257
SMILES (mnx)[CH3:1][N:22]1[CH:16]2[CH2:6][C:12]3=[CH:8][C:18]([O:23][CH3:2])=[C:20]([O:25][CH3:4])[CH:10]=[C:14]3[CH:17]1[CH2:7][C:13]1=[CH:9][C:19]([O:24][CH3:3])=[C:21]([O:26][CH3:5])[CH:11]=[C:15]12
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:76922
chebi:76922
QEOWCPFWLCIQSL-UHFFFAOYSA-O 		N-methylpavine
2,3,8,9-tetramethoxy-13-methyl-5,6,11,12-tetrahydro-5,11-epiminodibenzo[a,e][8]annulenium
argemonine(1+)

CHEBI:77060
chebi:77060
QEOWCPFWLCIQSL-UHFFFAOYSA-N 		2,3,8,9-tetramethoxy-13-methyl-5,6,11,12-tetrahydro-5,11-epiminodibenzo[a,e][8]annulene
argemonine

kegg.compound:C20770
keggC:C20770
QEOWCPFWLCIQSL-UHFFFAOYSA-N 		N-Methylpavine

sabiork.compound:31383
sabiorkM:31383
QEOWCPFWLCIQSL-UHFFFAOYSA-N 		N-Methylpavine
(+/-)-Argemonine

seed.compound:cpd31336
seedM:cpd31336
QEOWCPFWLCIQSL-UHFFFAOYSA-N 		N-Methylpavine
N-methylpavine
argemonine

metacyc.compound:CPD-16446
metacycM:CPD-16446
QEOWCPFWLCIQSL-UHFFFAOYSA-N 		N-methylpavine
argemonine

CHEBI:77055
chebi:77055 		argemonine
(+-)-argemonine
(5RS,11RS)-13-methyl-2,3,8,9-tetramethoxy-5,6,11,12-tetrahydro-5,11-epiminodibenzo[a,e][8]annulene
N-methylpavine
rac-(5R,11R)-2,3,8,9-tetramethoxy-13-methyl-5,6,11,12-tetrahydro-5,11-epiminodibenzo[a,e][8]annulene
rac-argemonine
racemic argemonine

keggC:M_C20770
seedM:M_cpd31336 		secondary/obsolete/fantasy identifier