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(Q105124934)
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Zanthobisquinolone
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
quinoline alkaloid
0 references
mass
362.126657056
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₁₈N₂O₄
0 references
canonical SMILES
O=C1C(=C(O)C=2C=CC=CC2N1C)CC=3C(=O)N(C=4C=CC=CC4C3O)C
0 references
found in taxon
Zanthoxylum simulans
3 references
stated in
Pyranoquinoline alkaloids from Zanthoxylum simulans
stated in
Pyranoquinoline alkaloids from Zanthoxylum simulans
stated in
Dimeric 2-quinolone alkaloid and antiplatelet aggregation constituents of Zanthoxylum simulans
Identifiers
InChI
InChI=1S/C21H18N2O4/c1-22-16-9-5-3-7-12(16)18(24)14(20(22)26)11-15-19(25)13-8-4-6-10-17(13)23(2)21(15)27/h3-10,24-25H,11H2,1-2H3
0 references
InChIKey
JCLGYGPWVWEPSU-UHFFFAOYSA-N
0 references
CAS Registry Number
57147-67-8
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
54688597
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JCLGYGPWVWEPSU-UHFFFAOYSA-N
ChEBI ID
174842
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C21H18N2O4/c1-22-16-9-5-3-7-12(16)18(24)14(20(22)26)11-15-19(25)13-8-4-6-10-17(13)23(2)21(15)27/h3-10,24-25H,11H2,1-2H3
UniChem compound ID
24190758
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID901206767
1 reference
matched by identifier from
InChIKey
InChIKey
JCLGYGPWVWEPSU-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0040786
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JCLGYGPWVWEPSU-UHFFFAOYSA-N
KNApSAcK ID
C00052437
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JCLGYGPWVWEPSU-UHFFFAOYSA-N
UNII
YZX9V8J885
1 reference
matched by identifier from
InChIKey
InChIKey
JCLGYGPWVWEPSU-UHFFFAOYSA-N
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