CAS 849061-97-8 | 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one hydrate | CAS Number 849061-97-8

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849061-97-8 | 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one hydrate

CAS No: 849061-97-8 Catalog No: AG003U3B MDL No:MFCD00006828

Product Description

Catalog Number:

AG003U3B

Chemical Name:

2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one hydrate

CAS Number:

849061-97-8

Molecular Formula:

C15H12O8

Molecular Weight:

320.2510

MDL Number:

MFCD00006828

IUPAC Name:

2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;hydrate

InChI:

InChI=1S/C15H10O7.H2O/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6;/h1-5,16-19,21H;1H2

InChI Key:

OKXFBEYCJRMINR-UHFFFAOYSA-N

SMILES:

Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O.O

Properties

Complexity:

488

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

320.053g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

320.253g/mol

Monoisotopic Mass:

320.053g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

128A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

Literature

Title	Journal
Small molecule inhibitors of Bacillus anthracis protective antigen proteolytic activation and oligomerization.	Journal of medicinal chemistry 20120927
A comprehensive strategy to discover inhibitors of the translesion synthesis DNA polymerase κ.	PloS one 20120101
An efficient and economical MTT assay for determining the antioxidant activity of plant natural product extracts and pure compounds.	Journal of natural products 20100723
Genetic mapping of targets mediating differential chemical phenotypes in Plasmodium falciparum.	Nature chemical biology 20091001
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