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(Q105181854)
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English
Methyl 2-(3-ethyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl)-3-methoxyprop-2-enoate
group of stereoisomers with the chemical formula C₂₂H₂₈N₂O₃
In more languages
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Statements
instance of
group of stereoisomers
0 references
subclass of
indolo[2,3-a]quinolizine alkaloid
1 reference
inferred from
indolo[2,3-a]quinolizine alkaloid
mass
368.209992756
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₂H₂₈N₂O₃
0 references
canonical SMILES
O=C(OC)C(=COC)C1CC2C=3NC=4C=CC=CC4C3CCN2CC1CC
0 references
found in taxon
Mitragyna speciosa
1 reference
stated in
Hirsuteine and mitrajavine from Mitragyna hirsuta
Mitragyna hirsuta
2 references
stated in
The Mitragyna Species of Asia
stated in
The Mitragyna Species of Asia
Uncaria cordata var. cordata
1 reference
stated in
Alkaloid distribution in Malaysian Uncaria
Mitragyna parvifolia
1 reference
stated in
The conversion of pseudo heteroyohimbine alkaloids to oxindoles. II. In vivo studies in Mitragyna parvifolia (Roxb.) Korth
Uncaria rhynchophylla
1 reference
stated in
Geissoschizine methyl ether, a corynanthean-type indole alkaloid from Uncaria rhynchophylla as a potential acetylcholinesterase inhibitor
Uncaria macrophylla
1 reference
stated in
Oxindole alkaloids from Uncaria macrophylla
Identifiers
InChI
InChI=1S/C22H28N2O3/c1-4-14-12-24-10-9-16-15-7-5-6-8-19(15)23-21(16)20(24)11-17(14)18(13-26-2)22(25)27-3/h5-8,13-14,17,20,23H,4,9-12H2,1-3H3
0 references
InChIKey
NMLUOJBSAYAYEM-UHFFFAOYSA-N
0 references
PubChem CID
415704
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
NMLUOJBSAYAYEM-UHFFFAOYSA-N
ChEBI ID
181093
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C22H28N2O3/c1-4-14-12-24-10-9-16-15-7-5-6-8-19(15)23-21(16)20(24)11-17(14)18(13-26-2)22(25)27-3/h5-8,13-14,17,20,23H,4,9-12H2,1-3H3
UniChem compound ID
45572253
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-RIKEN-PR310624
1 reference
InChIKey
NMLUOJBSAYAYEM-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
Human Metabolome Database ID
HMDB0250476
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
NMLUOJBSAYAYEM-UHFFFAOYSA-N
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