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laudanine(1+)

PropertiesImage
MNX_IDMNXM728988 Image of MNXM728988
referencechebi:76102
formulaC20H26NO4
global charge1
mol weight344.431
InChIKeyMPYHGNAJOKCMAQ-UHFFFAOYSA-O
InChIInChI=1S/C20H25NO4/c1-21-8-7-14-11-19(24-3)20(25-4)12-15(14)16(21)9-13-5-6-18(23-2)17(22)10-13/h5-6,10-12,16,22H,7-9H2,1-4H3/p+1
SMILESCOC1=CC2=C(C=C1OC)C(CC1=CC(O)=C(OC)C=C1)[NH+](C)CC2
MNX internals
InChI (mnx)InChI=1/C20H25NO4/c1-21-8-7-14-11-19(24-3)20(25-4)12-15(14)16(21)9-13-5-6-18(23-2)17(22)10-13/h5-6,10-12,16,22H,7-9H2,1-4H3/t16? Image of MNXM728988
SMILES (mnx)[CH3:1][N:21]1[CH2:8][CH2:7][C:14]2=[CH:11][C:19]([O:24][CH3:3])=[C:20]([O:25][CH3:4])[CH:12]=[C:15]2[CH:16]1[CH2:9][C:13]1=[CH:10][C:17]([OH:22])=[C:18]([O:23][CH3:2])[CH:6]=[CH:5]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:76102
chebi:76102
MPYHGNAJOKCMAQ-UHFFFAOYSA-O 		laudanine(1+)
1-(3-hydroxy-4-methoxybenzyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolinium
hmdb:HMDB0030211
MPYHGNAJOKCMAQ-UHFFFAOYSA-N 		(R)-Laudanidine
(-)-Laudanidine
5-[(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-2-methoxyphenol
DL-Laudanine
Tritopin
Tritopine
laudanine

sabiork.compound:27932
sabiorkM:27932
kegg.compound:C17592
keggC:C17592
MPYHGNAJOKCMAQ-UHFFFAOYSA-N 		Laudanine

CHEBI:76103
chebi:76103
MPYHGNAJOKCMAQ-UHFFFAOYSA-N 		laudanine
5-[(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-2-methoxyphenol

CHEBI:76106
chebi:76106
MPYHGNAJOKCMAQ-UHFFFAOYSA-N 		rac-laudanosoline
(+-)-laudanosoline
(RS)-laudanosoline
DL-laudanosoline
rac-5-[(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-2-methoxyphenol
racemic laudanosoline

hmdb:HMDB30211
keggC:M_C17592 		secondary/obsolete/fantasy identifier