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laudanine(1+)

Properties

Image

Occurences in reactions

MNX_ID

MNXM728988

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

formula

C₂₀H₂₆NO₄

charge

mass

344.18563

reference

InChIKey

MPYHGNAJOKCMAQ-UHFFFAOYSA-O

InChI

InChI=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

SMILES

COc1ccc(CC2c3cc(OC)c(OC)cc3CC[NH+]2C)cc1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:76102 chebi:76102	laudanine(1+) 1-(3-hydroxy-4-methoxybenzyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolinium
hmdb:HMDB0030211	(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	Laudanine
CHEBI:76103 chebi:76103	laudanine 5-[(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-2-methoxyphenol
CHEBI:76106 chebi:76106	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