Phyto4Health

Pyrogallol

Representations & DB's id
ChEBI: CHEBI:16164
ChEMBL: CHEMBL307145
PubChem: 1057
IUPAC: benzene-1,2,3-triol
Standard InChI: InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H
Standard InChI Key: WQGWDDDVZFFDIG-UHFFFAOYSA-N
SMILES: Oc1c(O)cccc1O

Molecular propeties
AlogP: 0.8
Hydrogen bonds acceptors: 3
Hydrogen bonds donors: 3
Rotatable bonds: 0
Number of rings: 1
Molecular Weight: 126.03
Topological polar surface area: 60.7
Number of aromatic rings: 1
Fsp3: 0
Number of carbons: 6

Plant sources

Part of plant Plant name Ref.
PlantGeum urbanum
PlantGeum urbanum
FlowerCrocus sativus

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Others8.3 %Selectin EP16581
Others1.7 %P-selectinP16109
Others13.5 %Leukocyte adhesion molecule-1P14151
Potency14125.4 nMPrelamin-A/CP02545
Potency6309.6 nMATP-dependent DNA helicase Q1P46063
Potency86.5 nMTyrosyl-DNA phosphodiesterase 1Q9NUW8
Potency1498.9 nMAldehyde dehydrogenase 1A1P00352
Potency12589.3 nMArachidonate 15-lipoxygenaseP16050
Potency10000 nM15-hydroxyprostaglandin dehydrogenase [NAD+]P15428
Potency631 nMEndoplasmic reticulum-associated amyloid beta-peptide-binding proteinQ99714
Potency3548.1 nMHistone-lysine N-methyltransferase, H3 lysine-9 specific 3Q96KQ7
Ki7410 nMCarbonic anhydrase IP00915
Ki540 nMCarbonic anhydrase IIP00918
Ki520 nMCarbonic anhydrase VIP23280
Others38 pm/min/mgUDP-glucuronosyltransferase 1-1P22309
Others0 pm/min/mgUDP-glucuronosyltransferase 2B15P54855
Potency5955.7 nMNuclear factor erythroid 2-related factor 2Q16236
Potency35481.3 nMGlutaminase kidney isoform, mitochondrialO94925
Potency74978 nMInterleukin-8P10145
Others100 %TyrosinaseP14679
Others100 %TyrosinaseP14679
Others100 %TyrosinaseP14679