Compound Selection

Formula: C16H14O6

MW: 302.28

CAS: 520-33-2

MDL: MFCD00275215

TNP: TNP00238

5,7,3'-TRIHYDROXY-4'-METHOXYFLAVANONE; 4'-METHOXY-3',5,7-TRIHYDROXYFLAVANONE; (+/-)-3',5,7-TRIHYDROXY-4'-METHOXYFLAVANONE; 3',5,7-TRIHYDROXY-4'-METHOXYFLAVANONE; 3',5,7-TRIHYDROXY-4-METHOXYFLAVANONE; 2,3-DIHYDRO-5,7-DIHYDROXY-2S-(3-HYDROXY-4-METHOXPHENYL)-4H-1

LogP: 6.42

LogS: -5.98

Acceptors: 6

Donors: 3

Rotation Bonds: 4

Chiral Centers: 1

N+O: 6

LIPINSKY: 3

Info: The aglucon of hesperidin

IUPAC: (2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chroman-4-one

Smiles: c12C(C[C@H](Oc1cc(cc2O)O)c1cc(O)c(cc1)OC)=O

Specification: Flavanones; Biochemistry; Flavonoids; Natural Plant Extract; Inhibitors HESPERETIN Chemical Properties:

mp 230-232C refractive index -4 (C=1.8, EtOH) storage temp. 2-8C Merck 14,4670 BRN 309850 CAS DataBase Reference520-33-2(CAS DataBase Reference) Safety Information Hazard Codes Xi Risk Statements 36/37/38 Safety Statements 26-36/37/39-27 WGK Germany 3 HESPERETIN Usage And Synthesis Chemical Properties:

Beige to Light Brown Crystalline Solid UsageThe aglucon of hesperidin HESPERETIN Preparation ProductsBETA-PHENYLPROPIOPHENONE-->Neosperidin dihydrochalcone

Merck 13 Reference: Monograph Number: 0004689

Title: Hesperetin

CAS Registry Number: 520-33-2

CAS Name: (2S)-2,3-Dihydro-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one

Additional Names: 3

Chemical Compounds - Natural Compounds

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