(Q105007083)

English

methyl (2E)-2-[(3S)-3-ethyl-8-methoxy-4,6,7,12-tetrahydro-3H-indolo[2,3-a]quinolizin-2-ylidene]-3-oxopropanoate

chemical compound

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instance of

type of chemical entity

0 references

subclass of

indolo[2,3-a]quinolizine alkaloid

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mass

380.173607248 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₄N₂O₄

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canonical SMILES

O=CC(C(=O)OC)=C1C=C2C=3NC=4C=CC=C(OC)C4C3CCN2CC1CC

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isomeric SMILES

CC[C@@H]1CN2CCc3c([nH]c4cccc(OC)c34)C2=C/C1=C(\C=O)C(=O)OC

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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/C22H24N2O4/c1-4-13-11-24-9-8-14-20-17(6-5-7-19(20)27-2)23-21(14)18(24)10-15(13)16(12-25)22(26)28-3/h5-7,10,12-13,23H,4,8-9,11H2,1-3H3/b16-15-/t13-/m1/s1

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InChIKey

GECMIUBZTNLYLS-JFVSRZABSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

GECMIUBZTNLYLS-JFVSRZABSA-N

1 reference

(Q105007083)

methyl (2E)-2-[(3S)-3-ethyl-8-methoxy-4,6,7,12-tetrahydro-3H-indolo[2,3-a]quinolizin-2-ylidene]-3-oxopropanoate

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