(Q104950367)

English

(2Z)-2-[(1S,3S,12bR)-3-ethyl-1-formyl-8-methoxy-3,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-ylidene]-3-oxopropanoic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

2-(3-ethyl-1-formyl-8-methoxy-3,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-ylidene)-3-oxopropanoic acid

1 reference

based on heuristic

inferred from SMILES

mass

396.168521868 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2E)-2-[(1R,3S,12bS)-3-ethyl-1-formyl-8-methoxy-3,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-ylidene]-3-oxopropanoic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₂₄N₂O₅

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canonical SMILES

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

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isomeric SMILES

CC[C@@H]1CN2CCc3c([nH]c4cccc(OC)c34)[C@H]2[C@@H](C=O)/C1=C(/C=O)C(=O)O

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/C22H24N2O5/c1-3-12-9-24-8-7-13-19-16(5-4-6-17(19)29-2)23-20(13)21(24)14(10-25)18(12)15(11-26)22(27)28/h4-6,10-12,14,21,23H,3,7-9H2,1-2H3,(H,27,28)/b18-15-/t12-,14+,21-/m1/s1

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InChIKey

BZCUJLGQIQXOMA-WYTIFRHLSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BZCUJLGQIQXOMA-WYTIFRHLSA-N

1 reference

(Q104950367)

(2Z)-2-[(1S,3S,12bR)-3-ethyl-1-formyl-8-methoxy-3,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-ylidene]-3-oxopropanoic acid

Statements

Identifiers

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