Compound Selection

Formula: C15H10O6

MW: 286.24

CAS: 520-18-3

TNP NUMBER: TNP00039

MDL NUMBER: MFCD00016938

IUPAC: 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one

Smiles: c1(c(c2c(cc(cc2oc1c1ccc(cc1)O)O)O)=O)O

REFERENCE: Merck 13, 5293 Arntzen CJ, et al. Inhibition of Photophosphorylation by Kaempferol. Plant Physiol. 1974 Feb;53(2):304-306 Manthey, J. A. and Guthrie, N. Antiproliferative activities of citrus flavonoids against six human cancer cell lines. J. Agric. Food Chem. 2002, 50, 58-37-5843

SOURCE: Plant flavonoid isolated from Delphinium consolida L., Ranunculaceae; from grapefruit (Citrus paradisi Macf., Rutaceae); from stems and seeds of Cuscuta reflexa Roxb., Convolvulaceae

ACCEPTORS: 6

DONORS: 4

ROTATION BONDS: 4

N+O: 6

Chiral Centers: 0

LogP: 0.73

LogS: -2.98

LIPINSKI: 4

Synonyms: 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4h-1-benzopyran-4-on;5,7,4

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