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

Chemical Compounds - BioActive Compounds

Structure Search Shop Online Download Databases Request a CD
Structure Search eChemStore Download Request CD

Site Search

Compound Search

share

FacebookTwitterLinkedin

Contact Us

Phone: 302-292-8500
Fax: 302-292-8520

MyriaScreen II – diversity screening library from Sigma-Aldrich and TimTec
ApexScreen is a collection of 5,040 compounds that were selected to represent the diversity of TimTec stock
Chemistry reagents, HPLC columns, natural compounds
innovative software packages for chemical database management, chemical web server, structure drawing, diversity analysis, clustering, HTS and combinatorial chemistry, prediction of LogP/solubility/Pk, and Spectra Management