CAS 2107-76-8 | 2H-1-Benzopyran-2-one, 5,7-dihydroxy-4-methyl- | CAS Number 2107-76-8

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2107-76-8 | 2H-1-Benzopyran-2-one, 5,7-dihydroxy-4-methyl-

CAS No: 2107-76-8 Catalog No: AG002KXN MDL No:MFCD00016966

Product Description

Catalog Number:

AG002KXN

Chemical Name:

2H-1-Benzopyran-2-one, 5,7-dihydroxy-4-methyl-

CAS Number:

2107-76-8

Molecular Formula:

C10H8O4

Molecular Weight:

192.1681

MDL Number:

MFCD00016966

IUPAC Name:

5,7-dihydroxy-4-methylchromen-2-one

InChI:

InChI=1S/C10H8O4/c1-5-2-9(13)14-8-4-6(11)3-7(12)10(5)8/h2-4,11-12H,1H3

InChI Key:

QNVWGEJMXOQQPM-UHFFFAOYSA-N

SMILES:

Oc1cc(O)c2c(c1)oc(=O)cc2C

EC Number:

218-289-9

UNII:

VP62D4346M

NSC Number:

5302

Properties

Complexity:

284

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

192.042g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

192.17g/mol

Monoisotopic Mass:

192.042g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1

Literature

Title	Journal
In vitro platelet antiaggregatory properties of 4-methylcoumarins.	Biochimie 20121201
Structure-anti-leukemic activity relationship study of ortho-dihydroxycoumarins in U-937 cells: key role of the δ-lactone ring in determining differentiation-inducing potency and selective pro-apoptotic action.	Bioorganic & medicinal chemistry 20120915
Biotransformation of hydroxycoumarin derivatives by cultured suspension cells of Catharanthus roseus.	Die Pharmazie 20120501
Synthesis and evaluation of a class of new coumarin triazole derivatives as potential antimicrobial agents.	Bioorganic & medicinal chemistry letters 20110201
Structure-activity relationship of dihydroxy-4-methylcoumarins as powerful antioxidants: correlation between experimental & theoretical data and synergistic effect.	Biochimie 20100901
Discovery and optimization of novel 3-piperazinylcoumarin antagonist of chemokine-like factor 1 with oral antiasthma activity in mice.	Journal of medicinal chemistry 20100225
Rotational diffusion of dihydroxy coumarins: Effect of OH groups and their relative position on solute-solvent interactions.	The journal of physical chemistry. B 20090625
Coumarin as attractive casein kinase 2 (CK2) inhibitor scaffold: an integrate approach to elucidate the putative binding motif and explain structure-activity relationships.	Journal of medicinal chemistry 20080227
Antifungal and antibacterial activities of Mexican tarragon (Tagetes lucida).	Journal of agricultural and food chemistry 20060517
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Inhibitory activity of polyhydroxycarboxylate chelators against recombinant NF-kappaB p50 protein-DNA binding.	Bioorganic chemistry 20050401
Crystal structure of 7,8-dihydroxy-4-methylcoumarin.	Analytical sciences : the international journal of the Japan Society for Analytical Chemistry 20030401