1,2,5,8-tetrahydroxyanthracene-9,10-dione

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as hydroxyanthraquinones. These are compounds containing a hydroxyanthraquinone moiety, which consists of an anthracene bearing a quinone, and hydroxyl group.

Hydroxyanthraquinones

Organic compounds

Benzenoids

Anthracenes

Anthraquinones

Calculated Property

kind Value Source
logP 2.2 ALOGPS
logS -2.7 ALOGPS
Water Solubility 5.49e-01 g/l ALOGPS
logP 3.65 ChemAxon
IUPAC Name 1,2,5,8-tetrahydroxy-9,10-dihydroanthracene-9,10-dione ChemAxon
Traditional IUPAC Name quinalizarin ChemAxon
Molecular Weight 272.2097 ChemAxon
Monoisotopic Weight 272.032087988 ChemAxon
SMILES OC1=C(O)C2=C(C=C1)C(=O)C1=C(O)C=CC(O)=C1C2=O ChemAxon
Molecular Formula C14H8O6 ChemAxon
InChI InChI=1S/C14H8O6/c15-6-3-4-7(16)11-10(6)12(18)5-1-2-8(17)13(19)9(5)14(11)20/h1-4,15-17,19H ChemAxon
InChIKey InChIKey=VBHKTXLEJZIDJF-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 115.06 ChemAxon
Refractivity 69.07 ChemAxon
Polarizability 25.07 ChemAxon
Rotatable Bond Count 0 ChemAxon
H Bond Acceptor Count 6 ChemAxon
H Bond Donor Count 4 ChemAxon
pKa (strongest acidic) 7.5 ChemAxon
pKa (strongest basic) -4.4 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 3 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Casein kinase II subunit alpha : in Human