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Mitragynine

PropertiesImage
MNX_IDMNXM106728 Image of MNXM106728
referencechebi:6956
formulaC23H30N2O4
global charge0
mol weight398.503
InChIKeyLELBFTMXCIIKKX-QVRQZEMUSA-N
InChIInChI=1S/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/b17-13+/t14-,16+,19+/m1/s1
SMILESCC[C@@H]1CN2CCC3=C(NC4=C3C(OC)=CC=C4)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC
MNX internals
InChI (mnx)InChI=1/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/b17-13+/t14-,16+,19+/m1/s1 Image of MNXM106728
SMILES (mnx)[CH3:1][CH2:5][C@@H:14]1[CH2:12][N:25]2[CH2:10][CH2:9][C:15]3=[C:22]([C@@H:19]2[CH2:11][C@@H:16]1/[C:17](=[CH:13]\[O:27][CH3:2])[C:23](=[O:26])[O:29][CH3:4])[NH:24][C:18]1=[C:21]3[C:20]([O:28][CH3:3])=[CH:8][CH:6]=[CH:7]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

seed.compound:cpd06121
seedM:cpd06121
CHEBI:6956
chebi:6956
kegg.compound:C09226
keggC:C09226
LELBFTMXCIIKKX-QVRQZEMUSA-N
LELBFTMXCIIKKX-QVRQZEMUSA-O 		Mitragynine
hmdb:HMDB0041933
LELBFTMXCIIKKX-QVRQZEMUSA-N 		Mitragynine
16,17-Didehydro-9,17-dimethoxy-17,18-seco-20-alpha-yohimban-16-carboxylic acid methyl ester
Kratom alkaloids
Methyl (2E)-2-[(2S,4S,5S)-5-ethyl-12-methoxy-7,17-diazatetracyclo[8.7.0.0,.0,]heptadeca-1(10),11(16),12,14-tetraen-4-yl]-3-methoxyprop-2-enoic acid
Mitragynine ethanedisulfonate
Mitragynine monohydrochloride
Mitragynine, (16E)-isomer
Mitragynine, (3beta,16E)-isomer
Mitragynine, (3beta,16E,20beta)-isomer
SK And F 12711
SK And F-12711
methyl (2E)-2-[(2S,3S,12bS)-3-ethyl-8-methoxy-1H,2H,3H,4H,6H,7H,12H,12bH-indolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate
mitragynine

hmdb:HMDB41933
keggC:M_C09226
seedM:M_cpd06121 		secondary/obsolete/fantasy identifier