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(Q105375412)
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English
methyl (2E)-2-[(3S)-3-ethyl-4,6,7,12-tetrahydro-3H-indolo[2,3-a]quinolizin-2-ylidene]-3-oxopropanoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
methyl 2-(3-ethyl-4,6,7,12-tetrahydro-3H-indolo[2,3-a]quinolizin-2-ylidene)-3-oxopropanoate
1 reference
based on heuristic
inferred from SMILES
mass
350.163042564
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₂N₂O₃
0 references
canonical SMILES
O=CC(C(=O)OC)=C1C=C2C=3NC=4C=CC=CC4C3CCN2CC1CC
0 references
isomeric SMILES
CC[C@@H]1CN2CCc3c([nH]c4ccccc34)C2=C/C1=C(\C=O)C(=O)OC
0 references
found in taxon
Mitragyna speciosa
1 reference
stated in
Chemistry and pharmacology of analgesic indole alkaloids from the rubiaceous plant, Mitragyna speciosa
Identifiers
InChI
InChI=1S/C21H22N2O3/c1-3-13-11-23-9-8-15-14-6-4-5-7-18(14)22-20(15)19(23)10-16(13)17(12-24)21(25)26-2/h4-7,10,12-13,22H,3,8-9,11H2,1-2H3/b17-16-/t13-/m1/s1
0 references
InChIKey
ZGSKSGGZSIKMEC-VLUKHXRESA-N
0 references
PubChem CID
154496384
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
ZGSKSGGZSIKMEC-VLUKHXRESA-N
UniChem compound ID
185783406
1 reference
stated in
UniChem
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