(Q82463107)

English

speciociliatine

chemical compound

methyl (3beta,16E,20beta)-9-methoxy-16-(methoxymethylidene)corynan-17-oate

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Statements

instance of

type of chemical entity

0 references

subclass of

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

1 reference

(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,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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

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

1 reference

1 reference

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

chemical formula

C₂₃H₃₀N₂O₄

0 references

canonical SMILES

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

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isomeric SMILES

CC[C@@H]1CN2CCC3=C([C@H]2C[C@@H]1/C(=C\OC)/C(=O)OC)NC4=C3C(=CC=C4)OC

0 references

found in taxon

Mitragyna speciosa

6 references

stated in

Indole alkaloids of a Thai medicinal herb, Mitragyna speciosa, that has opioid agonistic effect in guinea-pig ileum

stated in

New indole alkaloids from the leaves of Malaysian Mitragyna speciosa

stated in

The Mitragyna species of Asia. VII. Indole alkaloids from the leaves of Mitragyna speciosa Korth

stated in

A new indole alkaloid, 7-hydroxyspeciociliatine, from the fruits of Malaysian Mitragyna speciosa and its opioid agonistic activity

stated in

A New Indole Alkaloid, 7 alpha-Hydroxy-7H-mitragynine, from Mitragyna speciosa in Thailand

stated in

3-dehydromitragynine: An alkaloid from Mitragyna speciosa

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

0 references

InChIKey

LELBFTMXCIIKKX-MYLQJJOTSA-N

0 references

CAS Registry Number

14382-79-7

1 reference

InChIKey

LELBFTMXCIIKKX-MYLQJJOTSA-N

10 April 2021

https://commonchemistry.cas.org/detail?cas_rn=14382-79-7

PubChem CID

15560576

1 reference

matched by identifier from

InChIKey

LELBFTMXCIIKKX-MYLQJJOTSA-N

SureChEMBL ID

SCHEMBL15979409

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

LELBFTMXCIIKKX-MYLQJJOTSA-N

1 reference

1 reference

matched by identifier from

InChIKey

LELBFTMXCIIKKX-MYLQJJOTSA-N

DSSTOX compound identifier

DTXCID40524932

0 references

UNII

M3NN8Z8ZJW

1 reference

matched by identifier from

InChIKey

LELBFTMXCIIKKX-MYLQJJOTSA-N

Probes And Drugs ID

PD120052

0 references

Sitelinks

Wikipedia(1 entry)

enwiki Speciociliatine

(Q82463107)

speciociliatine

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