(Q105150632)

English

methyl (Z)-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

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

methyl (E)-2-(3-ethyl-8-methoxy-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl)-3-methoxyprop-2-enoate

1 reference

based on heuristic

inferred from SMILES

methyl (E)-2-[(2S,12bS)-3-ethyl-8-methoxy-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate

1 reference

based on heuristic

inferred from SMILES

(E)-Methyl 2-((2S,3S,12bS)-3-ethyl-8-methoxy-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl)-3-methoxyacrylate

1 reference

based on heuristic

inferred from SMILES

mass

398.22055744 dalton

1 reference

2 references

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

methyl (Z)-2-[(2S,3R,12bS)-3-ethyl-8-methoxy-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate

1 reference

based on heuristic

inferred from InChI

methyl (Z)-2-[(2S,3S,12bR)-3-ethyl-8-methoxy-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate

1 reference

1 reference

1 reference

C₂₃H₃₀N₂O₄

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canonical SMILES

O=C(OC)C(=COC)C1CC2C=3NC=4C=CC=C(OC)C4C3CCN2CC1CC

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isomeric SMILES

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

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found in taxon

Mitragyna speciosa

1 reference

stated in

THE MITRAGYNA SPECIES OF ASIA – Part IV. The alkaloids of the leaves ofMitragyna speciosaKorth.. Isolation of Mitragynine and Speciofoline1

Identifiers

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

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InChIKey

LELBFTMXCIIKKX-SUCIZOKWSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LELBFTMXCIIKKX-SUCIZOKWSA-N

SureChEMBL ID

SCHEMBL15976583

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

LELBFTMXCIIKKX-SUCIZOKWSA-N

1 reference

(Q105150632)

methyl (Z)-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

Statements

Identifiers

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