Phyto4Health

Quinalizarin

Representations & DB's id
ChEBI: CHEBI:37495
ChEMBL: CHEMBL29898
PubChem: 5004
IUPAC: 1,2,5,8-tetrahydroxyanthracene-9,10-dione
Standard 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
Standard InChI Key: VBHKTXLEJZIDJF-UHFFFAOYSA-N
SMILES: Oc1c(O)ccc2c1C(=O)c1c(C2=O)c(O)ccc1O

Molecular propeties
AlogP: 1.28
Hydrogen bonds acceptors: 6
Hydrogen bonds donors: 4
Rotatable bonds: 0
Number of rings: 3
Molecular Weight: 272.03
Topological polar surface area: 115
Number of aromatic rings: 2
Fsp3: 0
Number of carbons: 14

Plant sources

Part of plant Plant name Ref.
RhizomaRheum palmatum

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Potency25118.9 nMThyroid hormone receptor beta-1P10828
Potency31622.8 nMATP-dependent DNA helicase Q1P46063
Potency5011.9 nMEndoplasmic reticulum-associated amyloid beta-peptide-binding proteinQ99714
Potency3548.1 nMLysine-specific demethylase 4D-likeB2RXH2
Potency3981.1 nMDNA-(apurinic or apyrimidinic site) lyaseP27695
Potency1000 nMTyrosyl-DNA phosphodiesterase 1Q9NUW8
Potency12589.3 nMSerine/threonine-protein kinase RAFP04049
Potency44668.4 nMThyroid hormone receptor beta-1P10828
Potency1412.5 nMMicrotubule-associated protein tauP10636
Potency10000 nMMAP kinase ERK2P28482
Potency6309.6 nMAldehyde dehydrogenase 1A1P00352
Potency251.2 nMArachidonate 15-lipoxygenaseP16050
Potency12589.3 nMMicrotubule-associated protein tauP10636
Potency31622.8 nMBreast cancer type 1 susceptibility proteinP38398
Potency3162.3 nMMAP kinase ERK2P28482
Potency7943.3 nMMAP kinase ERK2P28482
Potency3548.1 nMDual specificity mitogen-activated protein kinase kinase 1Q02750
Potency3981.1 nMUbiquitin carboxyl-terminal hydrolase 2O75604
Potency11220.2 nM15-hydroxyprostaglandin dehydrogenase [NAD+]P15428
Potency5011.9 nMCellular tumor antigen p53P04637
Potency5011.9 nMCellular tumor antigen p53P04637
Potency6309.6 nMCytochrome P450 3A4P08684
Potency6309.6 nMCytochrome P450 3A4P08684
Potency631 nMArachidonate 15-lipoxygenase, type IIO15296
Others170 pm/min/mgUDP-glucuronosyltransferase 1-1P22309
Others96 pm/min/mgUDP-glucuronosyltransferase 1-10Q9HAW8
Others749 pm/min/mgUDP-glucuronosyltransferase 1-3P35503
Others0 pm/min/mgUDP-glucuronosyltransferase 1A4P22310
Others947 pm/min/mgUDP-glucuronosyltransferase 1-8Q9HAW9
Others13 pm/min/mgUDP-glucuronosyltransferase 2B15P54855