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(Q104396676)
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English
2-(2H-1,3-benzodioxol-5-yl)-1H-quinolin-4-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
quinoline alkaloid
0 references
mass
265.073893212
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₁₁NO₃
0 references
canonical SMILES
O=C1C=C(NC=2C=CC=CC12)C=3C=CC=4OCOC4C3
0 references
found in taxon
Haplophyllum griffithianum
2 references
stated in
Alkaloids ofHaplophyllum foliosum. II.
stated in
Alkaloids ofHaplophyllum dubium
Haplophyllum dubium
1 reference
stated in
Alkaloids ofHaplophyllum dubium
Ruta graveolen
1 reference
stated in
In silico target fishing for rationalized ligand discovery exemplified on constituents of Ruta graveolens
Identifiers
InChI
InChI=1S/C16H11NO3/c18-14-8-13(17-12-4-2-1-3-11(12)14)10-5-6-15-16(7-10)20-9-19-15/h1-8H,9H2,(H,17,18)
0 references
InChIKey
XZLHQSQFBBOXIY-UHFFFAOYSA-N
0 references
PubChem CID
10901503
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
34418820
1 reference
stated in
UniChem
KNApSAcK ID
C00025430
1 reference
based on heuristic
inferred from InChIKey
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