Phyto4Health

(Z)-3-(3,4-Dihydroxyphenyl)Prop-2-Enoic Acid

Representations & DB's id

ChEBI: CHEBI:17395
ChEMBL: CHEMBL1320034
PubChem: 1549111
IUPAC: (Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
Standard InChI: InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2-
Standard InChI Key: QAIPRVGONGVQAS-RQOWECAXSA-N
SMILES: OC(=O)/C=Cc1ccc(c(c1)O)O

Molecular propeties

AlogP: 1.2
Hydrogen bonds acceptors: 3
Hydrogen bonds donors: 3
Rotatable bonds: 2
Number of rings: 1
Molecular Weight: 180.04
Topological polar surface area: 77.8
Number of aromatic rings: 1
Fsp3: 0
Number of carbons: 9

Plant sources

Part of plant Plant name Ref.
PlantPolygonum aviculare
PlantBrassica juncea
PlantPunica granatum
PlantInula helenium
PlantHypericum perforatum
PlantUrtica dioica
PlantLinum usitatissimum
PlantArctium lappa
PlantPapaver somniferum
PlantCitrus unshiu
PlantTussilago farfara
PlantDigitalis purpurea
PlantTaraxacum officinale
PlantTaraxacum officinale
PlantConium maculatum
PlantChamaemelum nobile
PlantRheum palmatum
PlantThymus vulgaris
PlantThymus vulgaris
PlantAchillea millefolium
PlantValeriana officinalis
PlantChelidonium majus
PlantCrocus sativus

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Potency10000 nMEndoplasmic reticulum-associated amyloid beta-peptide-binding proteinQ99714
Potency11220.2 nMLysine-specific demethylase 4D-likeB2RXH2
Potency7943.3 nMThyroid stimulating hormone receptorP16473
Potency794.3 nMThyroid stimulating hormone receptorP16473
Potency7943.3 nMHypoxia-inducible factor 1 alphaQ16665
Potency7943.3 nMHypoxia-inducible factor 1 alphaQ16665
Potency794.3 nMThyroid stimulating hormone receptorP16473
Potency50.1 nMEndoplasmic reticulum-associated amyloid beta-peptide-binding proteinQ99714
Potency158.5 nMEndoplasmic reticulum-associated amyloid beta-peptide-binding proteinQ99714
Potency1258.9 nMEndoplasmic reticulum-associated amyloid beta-peptide-binding proteinQ99714
Potency15848.9 nMCytochrome P450 2C9P11712
Potency2511.9 nMHistone-lysine N-methyltransferase, H3 lysine-9 specific 3Q96KQ7