Phyto4Health

Gallic Acid

Representations & DB's id

ChEBI: CHEBI:30778
ChEMBL: CHEMBL288114
PubChem: 370
IUPAC: 3,4,5-trihydroxybenzoic acid
Standard InChI: InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)
Standard InChI Key: LNTHITQWFMADLM-UHFFFAOYSA-N
SMILES: OC(=O)c1cc(O)c(c(c1)O)O

Molecular propeties

AlogP: 0.5
Hydrogen bonds acceptors: 4
Hydrogen bonds donors: 4
Rotatable bonds: 1
Number of rings: 1
Molecular Weight: 170.02
Topological polar surface area: 98
Number of aromatic rings: 1
Fsp3: 0
Number of carbons: 7

Plant sources

Part of plant Plant name Ref.
PlantVitis vinifera
PlantPolygonum bistorta
HerbaPolygonum aviculare
HerbaPolygonum aviculare
HerbaPolygonum aviculare
PlantBrassica juncea
FructusPunica granatum
FructusPunica granatum
FructusPunica granatum
FructusPunica granatum
PlantVerbascum thapsiforme
RadixSanguisorba officinalis
RadixSanguisorba officinalis
RadixSanguisorba officinalis
PlantLavandula vera
PericarpiumCitrus unshiu
FlosTussilago farfara
FlosTussilago farfara
FlosTussilago farfara
PlantTaraxacum officinale
SemenJuglans regia
SemenJuglans regia
SemenJuglans regia
SemenTrigonella foenum-graecum
SemenTrigonella foenum-graecum
SemenTrigonella foenum-graecum
PlantTanacetum coccineum
RhizomaRheum palmatum
RhizomaRheum palmatum
RhizomaRheum palmatum
PlantCotinus coggygria
PlantCotinus coggygria
PlantCotinus coggygria
PlantPrunus cerasifera
PlantRibes nigrum
PlantGlycyrrhiza uralensis
PlantThymus vulgaris
PlantThymus vulgaris
PlantHumulus lupulus
FlowerCrocus sativus
PlantEucalyptus maideni

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
IC5027600 nMLeukocyte adhesion molecule-1P14151
IC5019100 nMP-selectinP16109
IC50500000 nMSelectin EP16581
IC5097.3 ug/mlAldose reductaseP15121
Ki7030 nMCarbonic anhydrase XIVQ9ULX7
Ki7780 nMCarbonic anhydrase XIIO43570
Ki6990 nMCarbonic anhydrase IXQ16790
Ki6070 nMCarbonic anhydrase VIIP43166
Ki6130 nMCarbonic anhydrase VIP23280
Ki9970 nMCarbonic anhydrase VBQ9Y2D0
Ki4080 nMCarbonic anhydrase VAP35218
Ki9800 nMCarbonic anhydrase IVP22748
Ki7490 nMCarbonic anhydrase IIIP07451
Ki2250 nMCarbonic anhydrase IIP00918
Ki3200 nMCarbonic anhydrase IP00915
Potency281.8 nMPrelamin-A/CP02545
Potency19952.6 nMEndoplasmic reticulum-associated amyloid beta-peptide-binding proteinQ99714
Potency354.8 nMLysine-specific demethylase 4D-likeB2RXH2
Potency25118.9 nMGlyceraldehyde-3-phosphate dehydrogenase liverP04406
Potency15848.9 nMSurvival motor neuron proteinQ16637
Potency2511.9 nMTyrosyl-DNA phosphodiesterase 1Q9NUW8
Potency1000 nMTyrosyl-DNA phosphodiesterase 1Q9NUW8
Potency1258.9 nMMicrotubule-associated protein tauP10636
Potency8912.5 nMAldehyde dehydrogenase 1A1P00352
Potency1995.3 nMAldehyde dehydrogenase 1A1P00352
Potency1995.3 nMMicrotubule-associated protein tauP10636
Potency25118.9 nMMAP kinase ERK2P28482
Potency22387.2 nMMAP kinase ERK2P28482
Potency7079.5 nM15-hydroxyprostaglandin dehydrogenase [NAD+]P15428
Potency50.1 nMEndoplasmic reticulum-associated amyloid beta-peptide-binding proteinQ99714
Potency12589.3 nMCellular tumor antigen p53P04637
Potency10000 nMCellular tumor antigen p53P04637
Potency39810.7 nMHistone acetyltransferase GCN5Q92830
Potency31622.8 nMTyrosyl-DNA phosphodiesterase 1Q9NUW8
Potency1995.3 nMHistone-lysine N-methyltransferase, H3 lysine-9 specific 3Q96KQ7
Others0 pm/min/mgUDP-glucuronosyltransferase 1-1P22309
Others63.71 %Estrogen receptor alphaP03372
Others92.19 %Estrogen receptor alphaP03372
Potency4216.3 nMNuclear factor erythroid 2-related factor 2Q16236
Potency10000 nMGlutaminase kidney isoform, mitochondrialO94925
Potency47307.9 nMInterleukin-8P10145
Others38.9 %ADAM17P78536
Others43.5 %ADAM17P78536
Others47.9 %ADAM17P78536
Others112.2 %Cytochrome P450 19A1P11511
IC5060 nMAlpha-(1,3)-fucosyltransferase 7Q11130
IC5014000 nMFucosyltransferase 4P22083
Others103.1 %Isocitrate dehydrogenase [NADP] cytoplasmicO75874
Others97.4 %Isocitrate dehydrogenase [NADP] cytoplasmicO75874