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(S)-canadine

Properties

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Occurences in reactions

MNX_ID

MNXM1610

	#reac
in my sandbox	0
in MNXref (generic)	7
in models (compartimentalized)	0

formula

C₂₀H₂₁NO₄

charge

mass

339.14706

reference

chebi:16592

InChIKey

VZTUIEROBZXUFA-INIZCTEOSA-N

InChI

InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m0/s1

SMILES

COc1ccc2c(c1OC)CN1CCc3cc4c(cc3[C@@H]1C2)OCO4

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:16592 chebi:16592	(S)-canadine (13aS)-5,8,13,13a-Tetrahydro-9,10-dimethoxy-6H-Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizine (13aS)-9,10-dimethoxy-5,8,13,13a-tetrahydro-6H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinoline (S)-Canadine (S)-Tetrahydroberberine canadine l-form
seed.compound:cpd02117 seedM:cpd02117	(S)-Canadine (-)-Canadine (13aS)-5, 8, 13, 13a-tetrahydro-9, 10-dimethoxy-6H-benzo[g] -1,3-benzodioxolo[5, 6-a]quinolizine (13aS)-5,8,13,13a-Tetrahydro-9,10-dimethoxy-6H-Benzo[g]-1,3- benzodioxolo[5,6-a]quinolizine (13aS)-5,8,13,13a-Tetrahydro-9,10-dimethoxy-6H-benzo[g]-1,3-benzodioxolo[5,6-a]quinolizine (S)-Tetrahydroberberine (S)-canadine (S)-tetrahydroberberine S-canadine
kegg.compound:C03329 keggC:C03329	(S)-Canadine (-)-Canadine (13aS)-5,8,13,13a-Tetrahydro-9,10-dimethoxy-6H-benzo[g]-1,3-benzodioxolo[5,6-a]quinolizine (S)-Tetrahydroberberine
sabiork.compound:6555 sabiorkM:6555	(S)-Canadine (13aS)-5,8,13,13a-Tetrahydro-9,10-dimethoxy-6H-Benzo[g]-1,3- benzodioxolo[5,6-a]quinolizine (13aS)-5,8,13,13a-Tetrahydro-9,10-dimethoxy-6H-Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizine (S)-Tetrahydroberberine (S)-Tetrahydroprotoberberine
metacyc.compound:S-TETRAHYDROBERBERINE metacycM:S-TETRAHYDROBERBERINE	(S)-canadine (13aS)-5, 8, 13, 13a-tetrahydro-9, 10-dimethoxy-6H-benzo[g] -1,3-benzodioxolo[5, 6-a]quinolizine (S)-tetrahydroberberine (S)-tetrahydroprotoberberine
chebi:11059 chebi:11074 chebi:18773 chebi:413 keggC:M_C03329 seedM:M_cpd02117	secondary/obsolete/fantasy identifier