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Mitragynine

Properties

Image

Occurences in reactions

MNX_ID

MNXM106728

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

formula

C₂₃H₃₀N₂O₄

charge

mass

398.22056

reference

chebi:6956

InChIKey

LELBFTMXCIIKKX-QVRQZEMUSA-N

InChI

InChI=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

SMILES

CC[C@@H]1CN2CCc3c([nH]c4cccc(OC)c34)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
seed.compound:cpd06121 seedM:cpd06121 CHEBI:6956 chebi:6956 kegg.compound:C09226 keggC:C09226	Mitragynine
hmdb:HMDB0041933	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