Compound Selection

Formula: C15H12O4

MW: 256.26

TNP NUMBER: TNP00071

MDL NUMBER: MFCD01083864

IUPAC: (2R)-5,7-dihydroxy-2-phenylchroman-4-one

Smiles: c12c(cc(cc1O[C@H](CC2=O)c1ccccc1)O)O

THERAPEUTIC CATEGORY: Anti-inflammatory, hepatoprotecting and immunostimulating activity

REFERENCE: Batirov et al., Chem. Nat. Comp. (1986). 1:111-112

SOURCE: Flavonoid C15H12O4 from plants of the Leguminosae family

ACCEPTORS: 4

DONORS: 2

ROTATION BONDS: 2

N+O: 4

Chiral Centers: 1

LogP: 2.25

LogS: -3.6

LIPINSKI: 4

Synonyms: PINOCEMBRINE

CAS:

MF:C15H12O4

MW:256.25

EINECS:

Product Categories: PINOCEMBRINE

Chemical Properties: mp 194-195 C(lit.) storage temp. 2-8C form solid

Safety Information: WGK Germany 2 PINOCEMBRINE

Usage And Synthesis: PINOCEMBRINE

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MyriaScreen II – diversity screening library from Sigma-Aldrich and TimTec
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Chemistry reagents, HPLC columns, natural compounds
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