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(S)-scoulerine

PropertiesImage
MNX_IDMNXM1302 Image of MNXM1302
referencechebi:17129
formulaC19H21NO4
global charge0
mol weight327.38
InChIKeyKNWVMRVOBAFFMH-HNNXBMFYSA-N
InChIInChI=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
SMILESCOc1cc2c(cc1O)[C@@H]1Cc3ccc(OC)c(O)c3CN1CC2
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM1302
SMILES (mnx)[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
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)17
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:17129
chebi:17129
KNWVMRVOBAFFMH-HNNXBMFYSA-N 		(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

seed.compound:cpd01427
seedM:cpd01427
KNWVMRVOBAFFMH-HNNXBMFYSA-N 		(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
KNWVMRVOBAFFMH-HNNXBMFYSA-N 		(S)-Scoulerine
(13aS)-5,8,13,13a-Tetrahydro-3,10-dimethoxy-6H-dibenzo[a,g]quinolizine-2,9-diol

sabiork.compound:6004
sabiorkM:6004
KNWVMRVOBAFFMH-HNNXBMFYSA-N 		(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
KNWVMRVOBAFFMH-HNNXBMFYSA-N 		(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
KNWVMRVOBAFFMH-HNNXBMFYSA-N 		(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

chebi:11071
chebi:12413
chebi:18801
chebi:442
keggC:M_C02106
seedM:M_cpd01427 		secondary/obsolete/fantasy identifier