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Eduleine

PubChem CID: 253834

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Compound Synonyms EDULEINE, 483-51-2, 7-methoxy-1-methyl-2-phenylquinolin-4(1h)-one, 7-methoxy-1-methyl-2-phenylquinolin-4-one, 7-methoxy-1-methyl-2-phenyl-quinolin-4-one, 7-methoxy-1-methyl-2-phenyl-4(1H)-quinolinone, NSC-77150, KY2D9CAQ7P, MLS000549198, SMR000113846, 4(1H)-Quinolone, 7-methoxy-1-methyl-2-phenyl-, 4(1H)-Quinolinone, 7-methoxy-1-methyl-2-phenyl-, NSC77150, UNII-KY2D9CAQ7P, Oprea1_614141, cid_253834, SCHEMBL7912617, CHEMBL1721520, BDBM32704, DTXSID50291683, HMS2318A12, 7-methoxy-1-methyl-2-phenyl-4-quinolone, 7-methoxy-1-methyl-2-phenyl-4-quinolinone, DS-009230, AB00464856-08, AE-562/12222921, 7-methoxy-1-methyl-2-phenyl-1,4-dihydroquinolin-4-one
Topological Polar Surface Area 29.5
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 20.0
Description Alkaloid from Casimiroa edulis (Mexican apple). Eduleine is found in pomes.
Isotope Atom Count 0.0
Molecular Complexity 398.0
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id Q96KQ7, P83916, Q9NUW8
Iupac Name 7-methoxy-1-methyl-2-phenylquinolin-4-one
Prediction Hob 1.0
Class Quinolines and derivatives
Xlogp 3.3
Superclass Organoheterocyclic compounds
Subclass Phenylquinolines
Molecular Formula C17H15NO2
Prediction Swissadme 0.0
Inchi Key SNNYHVVKJUPXKZ-UHFFFAOYSA-N
Fcsp3 0.1176470588235294
Logs -4.493
Rotatable Bond Count 2.0
State Solid
Logd 3.2
Synonyms 7-Methoxy-1-methyl-2-phenyl-4(1H)-quinolinone, Eduleine
Compound Name Eduleine
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 265.11
Formal Charge 0.0
Monoisotopic Mass 265.11
Hydrogen Bond Acceptor Count 3.0
Molecular Weight 265.31
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aromatic heteropolycyclic compounds
Esol -4.7484344
Inchi InChI=1S/C17H15NO2/c1-18-15(12-6-4-3-5-7-12)11-17(19)14-9-8-13(20-2)10-16(14)18/h3-11H,1-2H3
Smiles CN1C(=CC(=O)C2=C1C=C(C=C2)OC)C3=CC=CC=C3
Nring 3.0
Defined Bond Stereocenter Count 0.0
Taxonomy Direct Parent Phenylquinolines