Phyto4Health

Athraquinones A

Representations & DB's id
ChEBI: CHEBI:16866
ChEMBL: CHEMBL55814
PubChem: 6293
IUPAC: 1,2-dihydroxyanthracene-9,10-dione
Standard InChI: InChI=1S/C14H8O4/c15-10-6-5-9-11(14(10)18)13(17)8-4-2-1-3-7(8)12(9)16/h1-6,15,18H
Standard InChI Key: RGCKGOZRHPZPFP-UHFFFAOYSA-N
SMILES: O=C1c2ccccc2C(=O)c2c1ccc(c2O)O

Molecular propeties
AlogP: 1.87
Hydrogen bonds acceptors: 4
Hydrogen bonds donors: 2
Rotatable bonds: 0
Number of rings: 3
Molecular Weight: 240.04
Topological polar surface area: 74.6
Number of aromatic rings: 2
Fsp3: 0
Number of carbons: 14

Plant sources

Part of plant Plant name Ref.
PlantRubia tinctorum
RhizomaRheum palmatum
RhizomaRheum palmatum

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
IC501160000 nMProtein-arginine N-methyltransferase 1Q99873
Potency15848.9 nMATP-dependent DNA helicase Q1P46063
Potency39810.7 nMEndoplasmic reticulum-associated amyloid beta-peptide-binding proteinQ99714
Potency31622.8 nMEndoplasmic reticulum-associated amyloid beta-peptide-binding proteinQ99714
Potency14125.4 nMLysine-specific demethylase 4D-likeB2RXH2
Potency28183.8 nMLysine-specific demethylase 4D-likeB2RXH2
Potency15848.9 nMDNA-(apurinic or apyrimidinic site) lyaseP27695
Potency22387.2 nMSurvival motor neuron proteinQ16637
Potency8912.5 nMMicrotubule-associated protein tauP10636
Potency8912.5 nMMicrotubule-associated protein tauP10636
Potency18869.9 nMAldehyde dehydrogenase 1A1P00352
Potency31622.8 nMAldehyde dehydrogenase 1A1P00352
Potency10000 nMArachidonate 15-lipoxygenaseP16050
Potency5011.9 nMArachidonate 15-lipoxygenaseP16050
Potency15848.9 nMArachidonate 12-lipoxygenaseP18054
Potency10000 nMMAP kinase ERK2P28482
Potency31622.8 nMMAP kinase ERK2P28482
Potency15848.9 nMMAP kinase ERK2P28482
Potency28183.8 nM15-hydroxyprostaglandin dehydrogenase [NAD+]P15428
Potency35481.3 nM15-hydroxyprostaglandin dehydrogenase [NAD+]P15428
Potency39810.7 nMCytochrome P450 3A4P08684
Potency31622.8 nMCytochrome P450 3A4P08684
Potency39810.7 nMCytochrome P450 3A4P08684
Potency31622.8 nMCytochrome P450 3A4P08684
Potency50118.7 nMLysine-specific demethylase 4AO75164
Potency50118.7 nMTumor susceptibility gene 101 proteinQ99816
Potency28183.8 nMHistone acetyltransferase GCN5Q92830
Potency15848.9 nMArachidonate 15-lipoxygenase, type IIO15296
AC504543 nMDual specificity tyrosine-phosphorylation-regulated kinase 1AQ63470
Others120 pm/min/mgUDP-glucuronosyltransferase 1-1P22309
Others160 pm/min/mgUDP-glucuronosyltransferase 1-1P22309
Others205 pm/min/mgUDP-glucuronosyltransferase 1-10Q9HAW8
Others1072 pm/min/mgUDP-glucuronosyltransferase 1-3P35503
Others0 pm/min/mgUDP-glucuronosyltransferase 1A4P22310
Others0 pm/min/mgUDP-glucuronosyltransferase 1-6P19224
Others843 pm/min/mgUDP-glucuronosyltransferase 1-8Q9HAW9
Others1500 pm/min/mgUDP-glucuronosyltransferase 1-8Q9HAW9
Others1900 pm/min/mgUDP-glucuronosyltransferase 1-9O60656
Others11 pm/min/mgUDP-glucuronosyltransferase 2B15P54855
Others0 pm/min/mgUDP-glucuronosyltransferase 1-1P22309
Others0 pm/min/mgUDP-glucuronosyltransferase 1-6P19224
Others0 pm/min/mgUDP-glucuronosyltransferase 1-9O60656
Potency3662.6 nMGemininO75496
Potency22387.2 nMAtaxin-2Q99700
Potency44668.4 nMWerner syndrome ATP-dependent helicaseQ14191
Potency32609 nMTumor susceptibility gene 101 proteinQ99816