Phyto4Health

Galuteolin

Representations & DB's id

ChEBI: CHEBI:27994
ChEMBL: CHEMBL233929
PubChem: 5280637
IUPAC: 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Standard InChI: InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1
Standard InChI Key: PEFNSGRTCBGNAN-QNDFHXLGSA-N
SMILES: OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(cc3=O)c2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O)O

Molecular propeties

AlogP: -0.24
Hydrogen bonds acceptors: 11
Hydrogen bonds donors: 7
Rotatable bonds: 4
Number of rings: 4
Molecular Weight: 448.1
Topological polar surface area: 186
Number of aromatic rings: 3
Fsp3: 0.286
Number of carbons: 21

Plant sources

Part of plant Plant name Ref.
PlantIris florentina
PlantLavandula vera
PlantPotentilla erecta
PlantTaraxacum officinale
PlantTaraxacum officinale
PlantVinca minor
PlantTaraxacum officinale
PlantTaraxacum officinale
PlantPimpinella saxifraga
FructusCapsicum annuum
PlantPlantago major
PlantPlantago major
PlantPlantago major
PlantMarrubium vulgare

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Potency7079.5 nMTyrosyl-DNA phosphodiesterase 1Q9NUW8
Potency3981.1 nMLethal(3)malignant brain tumor-like protein 1Q9Y468
Potency12589.3 nMLysine-specific demethylase 4AO75164
Potency11220.2 nMCellular tumor antigen p53P04637
Potency11577.4 nMATPase family AAA domain-containing protein 5Q96QE3
AC5012680 nMDual specificity tyrosine-phosphorylation-regulated kinase 1AQ63470
Potency29092.9 nMGemininO75496
Potency35481.3 nMAtaxin-2Q99700
Potency7079.5 nMBreast cancer type 1 susceptibility proteinP38398
Potency56234.1 nMWerner syndrome ATP-dependent helicaseQ14191
Kd20 nMInterleukin-2P60568
Kd790 nMTNF-alphaP01375
Others50 %Protein-tyrosine phosphatase 1BP18031
Others61 %PlasminogenP00747