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English
caulilexin C
chemical compound
1-Methoxy-3-indoleacetonitrile
1-Methoxyindoleacetonitrile
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Statements
instance of
type of chemical entity
0 references
subclass of
alkaloid
0 references
mass
186.07931294
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₁H₁₀N₂O
0 references
canonical SMILES
CON1C=C(C2=CC=CC=C21)CC#N
0 references
found in taxon
radish
1 reference
stated in
Three sulphur-containing stress metabolites from Japanese radish
Arabidopsis thaliana
1 reference
stated in
Structural complexity, differential response to infection, and tissue specificity of indolic and phenylpropanoid secondary metabolism in Arabidopsis roots.
Eutrema halophilum
1 reference
stated in
Photochemical dimerization of wasalexins in UV-irradiated Thellungiella halophila and in vitro generates unique cruciferous phytoalexins
Pseudomonas cichorii
1 reference
stated in
Antifungal compounds from Dioscorea batatas inoculated with Pseudomonas cichorii
Isatis tinctoria
2 references
stated in
Indole alkaloids from the roots of Isatis ingigotica and their antiherpes simplex virus type 2 (HSV-2) activity in vitro
stated in
A new ceramide from the root of Isatis Indigotica and its cytotoxic activity
Identifiers
InChI
InChI=1S/C11H10N2O/c1-14-13-8-9(6-7-12)10-4-2-3-5-11(10)13/h2-5,8H,6H2,1H3
0 references
InChIKey
LIJIPBYXIXTNLE-UHFFFAOYSA-N
0 references
CAS Registry Number
30536-48-2
1 reference
InChIKey
LIJIPBYXIXTNLE-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=30536-48-2
PubChem CID
11954881
1 reference
matched by identifier from
InChIKey
InChIKey
LIJIPBYXIXTNLE-UHFFFAOYSA-N
ChEBI ID
172430
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C11H10N2O/c1-14-13-8-9(6-7-12)10-4-2-3-5-11(10)13/h2-5,8H,6H2,1H3
UniChem compound ID
27278172
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00474661
1 reference
matched by identifier from
InChIKey
InChIKey
LIJIPBYXIXTNLE-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID40425475
0 references
Human Metabolome Database ID
HMDB0040973
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
LIJIPBYXIXTNLE-UHFFFAOYSA-N
KNApSAcK ID
C00000105
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
LIJIPBYXIXTNLE-UHFFFAOYSA-N
UNII
NBP9TAS7GE
1 reference
matched by identifier from
InChIKey
InChIKey
LIJIPBYXIXTNLE-UHFFFAOYSA-N
Probes And Drugs ID
PD166540
0 references
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