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(S)-canadine

Properties

Image

with InChI numbering

Occurences in reactions

MNX_ID

MNXM1372368

	#reac
in my sandbox	0
in MNXref (generic)	9
in models (compartimentalized)	0

formula

C₂₀H₂₁NO₄

charge

mass

339.391

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

[CH3:1][O:22][c:17]1[cH:4][cH:3][c:12]2[c:15]([c:20]1[O:23][CH3:2])[CH2:10][N:21]1[CH2:6][CH2:5][c:13]3[cH:8][c:18]4[c:19]([cH:9][c:14]3[C@@H:16]1[CH2:7]2)[O:25][CH2:11][O:24]4

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
hmdb:HMDB0243674	(R)-Canadine 16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁵,²⁰]henicosa-2,4(8),9,15,17,19-hexaene 5,8,13,13a-Tetrahydro-9,10-dimethoxy-6H-benzo(g)-1,3-benzodioxolo(5,6-a)quinolizine 5,8,13,13a-Tetrahydro-9,10-dimethoxy-6H-benzo(g)benzo-1,3-dioxolo(5,6-a)quinolizine 9,10-Dimethoxy-2,3-(methylenedioxy)berbine Canadin Canadine hydrochloride Canadine, (+-)-isomer Canadine, (R)-isomer Canadine, (S)-isomer Tetrahydroberberine Xanthopuccine canadin
metacyc.compound:R-CANADINE metacycM:R-CANADINE	(R)-canadine
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
vmhM:thberbn vmhM:thberbn vmhmetabolite:thberbn vmhmetabolite:thberbn	(S)-Tetrahydroberberine
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
CHEBI:22998 chebi:22998	canadine 5,8,13,13a-tetrahydro-9,10-dimethoxy-6H-benzo(g)-1,3-benzodioxolo(5,6-a)quinolizine 5,8,13,13a-tetrahydro-9,10-dimethoxy-6H-benzo(g)benzo-1,3-dioxolo(5,6-a)quinolizine 9,10-dimethoxy-2,3-(methylenedioxy)berbine 9,10-dimethoxy-5,8,13,13a-tetrahydro-6H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinoline Canadin tetrahydroberberine xanthopuccine
chebi:11059 chebi:11074 chebi:18773 chebi:413 keggC:M_C03329 seedM:M_cpd02117	secondary/obsolete/fantasy identifier