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(S)-scoulerine

Properties

Image

with InChI numbering

Occurences in reactions

MNX_ID

MNXM1302

	#reac
in my sandbox	0
in MNXref (generic)	18
in models (compartimentalized)	0

formula

C₁₉H₂₁NO₄

charge

mass

327.38

reference

chebi:17129

InChIKey

KNWVMRVOBAFFMH-HNNXBMFYSA-N

InChI

InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m0/s1

SMILES

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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:17129 chebi:17129	(S)-scoulerine (-)-scoulerine (13aS)-3,10-dimethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline-2,9-diol (13aS)-5,8,13,13a-tetrahydro-3,10-dimethoxy-6H-dibenzo[a,g]quinolizine-2,9-diol (S)-Scoulerine
CHEBI:31033 chebi:31033 kegg.compound:C12326 keggC:C12326	(R,S)-Scoulerine Scoulerine
seed.compound:cpd01427 seedM:cpd01427	(S)-Scoulerine (-)-scoulerine (13aS)-3,10-dimethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline-2,9-diol (13aS)-5,8,13,13a-Tetrahydro-3,10-dimethoxy-6H-dibenzo[a,g]quinolizine-2,9-diol (13aS)-5,8,13,13a-tetrahydro-3,10-dimethoxy-6H- dibenzo[a,g]quinolizine-2,9-diol (13aS)-5,8,13,13a-tetrahydro-3,10-dimethoxy-6H-dibenzo[a,g]quinolizine-2,9-diol (13as)-5, 8,13,13a-tetrahydro-3,10-dimethoxy-6H-dibenzo[a,g]quinolizine-2,9-diol (S)-scoulerine S-scoulerine
kegg.compound:C02106 keggC:C02106	(S)-Scoulerine (13aS)-5,8,13,13a-Tetrahydro-3,10-dimethoxy-6H-dibenzo[a,g]quinolizine-2,9-diol
sabiork.compound:6004 sabiorkM:6004	(S)-Scoulerine (13aS)-5,8,13,13a-tetrahydro-3,10-dimethoxy-6H- dibenzo[a,g]quinolizine-2,9-diol (13aS)-5,8,13,13a-tetrahydro-3,10-dimethoxy-6H-dibenzo[a,g]quinolizine-2,9-diol
hmdb:HMDB0304001	(S)-scoulerine (-)-Scoulerine (12bS)-3,10-dimethoxy-7,8,12b,13-tetrahydro-5H-6-azatetraphene-4,11-diol (13AS)-5,8,13,13a-tetrahydro-3,10-dimethoxy-6H-dibenzo[a,g]quinolizine-2,9-diol Aequaline Aequaline, (S)-isomer Discretamine Discretamine, (+-)-isomer Discretamine, (R)-isomer Discretamine, (S)-isomer Discretamine, hydrochloride, (S)-isomer Scoulerine Scoulerine, (S)-isomer scoulerine
metacyc.compound:S-SCOULERINE metacycM:S-SCOULERINE	(S)-scoulerine (-)-scoulerine (13aS)-3,10-dimethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline-2,9-diol (13aS)-5,8,13,13a-tetrahydro-3,10-dimethoxy-6H-dibenzo[a,g]quinolizine-2,9-diol
seed.compound:cpd09097 seedM:cpd09097	Scoulerine (R,S)-Scoulerine
chebi:11071 chebi:12413 chebi:18801 chebi:442 keggC:M_C02106 keggC:M_C12326 seedM:M_cpd01427 seedM:M_cpd09097	secondary/obsolete/fantasy identifier