(Q117835306)

English

Gelsemicine

group of stereoisomers with the chemical formula C₂₀H₂₂N₂O₂

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

322.168127944 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₂N₂O₂

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canonical SMILES

O=C1NC=2C=CC=CC2C13C4OCC5C6N(C)CC(C=C)(C5C4)C63

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isomeric SMILES

C=C[C@]12CN(C)[C@@H]3[C@@H]4CO[C@@H](CC41)[C@@]1(C(=O)Nc4ccccc41)[C@H]32

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found in taxon

Gelsemium sempervirens

1 reference

stated in

153. The alkaloids of Gelsemium sempervirens. Part I

Gelsemium elegans

1 reference

stated in

Studies on the indole alkaloids of gelsem1um elegans (thailand): structure elucidation and proposal of biogenetic route

Identifiers

InChI

InChI=1S/C20H22N2O2/c1-3-19-10-22(2)16-11-9-24-15(8-13(11)19)20(17(16)19)12-6-4-5-7-14(12)21-18(20)23/h3-7,11,13,15-17H,1,8-10H2,2H3,(H,21,23)/t11-,13?,15+,16-,17-,19+,20-/m1/s1

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InChIKey

NFYYATWFXNPTRM-INFAKVQNSA-N

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2 references

30 June 2023

inferred from InChIKey

matched by identifier from

InChIKey

NFYYATWFXNPTRM-INFAKVQNSA-N

ChEBI ID

182545

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C20H22N2O2/c1-3-19-10-22(2)16-11-9-24-15(8-13(11)19)20(17(16)19)12-6-4-5-7-14(12)21-18(20)23/h3-7,11,13,15-17H,1,8-10H2,2H3,(H,21,23)/t11-,13?,15+,16-,17-,19+,20-/m1/s1

1 reference

(Q117835306)

Gelsemicine

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Identifiers

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