MITRAGYNINE
methyl (E)-2-[(2S,3S,12bS)-3-ethyl-8-methoxy-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate
Molecular Identity
MITRAGYNINE
methyl (E)-2-[(2S,3S,12bS)-3-ethyl-8-methoxy-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate
PubChem CID: 3034396
Mitragynine is a monoterpenoid indole alkaloid.
2D Structure
Properties
C23H30N2O4
Molecular Formula
398.50
Molecular Weight
g/mol
398.2206
Exact Mass
Da
3.4
XLogP
Drug-like (Lipinski: < 5)
63.8
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
5
H-Bond Acceptors
624
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
MITRAGYNINE4098-40-2(-)-Mitragynine9-MethoxycorynantheidineSkf 12711EP479K822JDTXSID701032140methyl (E)-2-[(2S,3S,12bS)-3-ethyl-8-methoxy-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate16,17-Didehydro-9,17-dimethoxy-17,18-seco-20-alpha-yohimban-16-carboxylic acid methyl estermethyl (2E)-2-((2S,4S,5S)-5-ethyl-12-methoxy-7,17-diazatetracyclo(8.7.0.0^(2,7).0^(11,16))heptadeca-1(10),11,13,15-tetraen-4-yl)-3-methoxyprop-2-enoatemethyl (2E)-2-[(2S,4S,5S)-5-ethyl-12-methoxy-7,17-diazatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),11,13,15-tetraen-4-yl]-3-methoxyprop-2-enoatemethyl (E)-2-((2S,3S,12bS)-3-ethyl-8-methoxy-1,2,3,4,6,7,12,12b-octahydroindolo(2,3-a)quinolizin-2-yl)-3-methoxyprop-2-enoateRefChem:159115DTXCID701517205SK&F-12711
Data from PubChem (NCBI)
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Drug Network
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