Phyto4Health

Danthron

Representations & DB's id
ChEBI: CHEBI:3682
ChEMBL: CHEMBL53418
PubChem: 2950
IUPAC: 1,8-dihydroxyanthracene-9,10-dione
Standard InChI: InChI=1S/C14H8O4/c15-9-5-1-3-7-11(9)14(18)12-8(13(7)17)4-2-6-10(12)16/h1-6,15-16H
Standard InChI Key: QBPFLULOKWLNNW-UHFFFAOYSA-N
SMILES: Oc1cccc2c1C(=O)c1c(C2=O)cccc1O

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.
PlantRheum palmatum
PlantRheum palmatum
PlantRheum palmatum

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
IC501000000 nMSialidase 2Q9Y3R4
Potency17782.8 nMPrelamin-A/CP02545
Potency10000 nMPrelamin-A/CP02545
Potency19952.6 nMEndoplasmic reticulum-associated amyloid beta-peptide-binding proteinQ99714
Potency12589.3 nMHuntingtinP42858
Potency35481.3 nMSurvival motor neuron proteinQ16637
Potency1995.3 nMThyroid stimulating hormone receptorP16473
Potency31622.8 nMTyrosyl-DNA phosphodiesterase 1Q9NUW8
Potency11220.2 nMMicrotubule-associated protein tauP10636
Potency5011.9 nMMicrotubule-associated protein tauP10636
Potency39810.7 nMAldehyde dehydrogenase 1A1P00352
Potency19952.6 nMArachidonate 15-lipoxygenaseP16050
Potency3162.3 nMMAP kinase ERK2P28482
Potency1995.3 nMThyroid stimulating hormone receptorP16473
Potency14125.4 nMMAP kinase ERK2P28482
Potency28183.8 nMMAP kinase ERK2P28482
Potency35481.3 nM15-hydroxyprostaglandin dehydrogenase [NAD+]P15428
Potency39810.7 nMHistone acetyltransferase GCN5Q92830
Potency7943.3 nMHistone-lysine N-methyltransferase, H3 lysine-9 specific 3Q96KQ7
Potency3548.1 nMHistone-lysine N-methyltransferase, H3 lysine-9 specific 3Q96KQ7
Potency7943.3 nMBromodomain adjacent to zinc finger domain protein 2BQ9UIF8
Others0 pm/min/mgUDP-glucuronosyltransferase 1-1P22309
Others6 pm/min/mgUDP-glucuronosyltransferase 1-10Q9HAW8
Others0 pm/min/mgUDP-glucuronosyltransferase 1-6P19224
Others17 pm/min/mgUDP-glucuronosyltransferase 1-7Q9HAW7
Others0 pm/min/mgUDP-glucuronosyltransferase 1-9O60656
Potency29849.3 nMNuclear factor erythroid 2-related factor 2Q16236
Potency74978 nMInterleukin-8P10145
Potency37578 nMNuclear receptor ROR-gammaP51449