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(Q83024951)
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2-Methyltryptoline
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
beta-carboline alkaloid
0 references
mass
186.115698448
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₁₄N₂
0 references
canonical SMILES
CN1CCC2=C(C1)NC3=CC=CC=C23
0 references
found in taxon
Arundo donax
3 references
stated in
Alkaloids of the Flora of Uzbekistan, Arundo donax
stated in
Alkaloids from Arundo donax. XVI. Structure of the New Dimeric Indole Alkaloid Arundavine
stated in
Alkaloids from Arundo donax. XVII. Structure of the Dimeric Indole Alkaloid Arundaphine
Cyathobasis fruticulosa
1 reference
stated in
Alkaloids and aromatics of Cyathobasis fruticulosa (Bunge) Aellen
Papaver rhoeas
1 reference
stated in
Alkaloids from Papaver rhoeas var. chelidonioides O. KUNTZE, P. confine JORD., and P. dubium L.
Phalaris arundinacea
1 reference
stated in
The occurrence of 2-methyl-1,2,3,4-tetrahydro-β-carboline and variation in alkaloids in Phalaris arundinacea☆
Phalaris coerulescens
2 references
stated in
Oxindoles from Phalaris coerulescens
stated in
Occurrence of Tetrahydro-β-carboline alkaloids in Phalaris tuberosa (gramineae)
Phalaris aquatica
1 reference
stated in
Occurrence of Tetrahydro-β-carboline alkaloids in Phalaris tuberosa (gramineae)
Identifiers
InChI
InChI=1S/C12H14N2/c1-14-7-6-10-9-4-2-3-5-11(9)13-12(10)8-14/h2-5,13H,6-8H2,1H3
0 references
InChIKey
JOFKCNJIUXPJAC-UHFFFAOYSA-N
0 references
CAS Registry Number
13100-00-0
1 reference
InChIKey
JOFKCNJIUXPJAC-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=13100-00-0
PubChem CID
121896
0 references
ChEBI ID
185749
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C12H14N2/c1-14-7-6-10-9-4-2-3-5-11(9)13-12(10)8-14/h2-5,13H,6-8H2,1H3
UniChem compound ID
19351
1 reference
stated in
UniChem
NMRShiftDB structure ID
20123164
1 reference
matched by identifier from
InChIKey
InChIKey
JOFKCNJIUXPJAC-UHFFFAOYSA-N
DSSTox substance ID
DTXSID40156838
0 references
DSSTOX compound identifier
DTXCID7079329
0 references
Human Metabolome Database ID
HMDB0029836
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JOFKCNJIUXPJAC-UHFFFAOYSA-N
KNApSAcK ID
C00050677
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JOFKCNJIUXPJAC-UHFFFAOYSA-N
Probes And Drugs ID
PD166857
0 references
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