Phyto4Health

Diosmetin

Representations & DB's id
ChEBI: CHEBI:4630
ChEMBL: CHEMBL90568
PubChem: 5281612
IUPAC: 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one
Standard InChI: InChI=1S/C16H12O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-7,17-19H,1H3
Standard InChI Key: MBNGWHIJMBWFHU-UHFFFAOYSA-N
SMILES: COc1ccc(cc1O)c1cc(=O)c2c(o1)cc(cc2O)O

Molecular propeties
AlogP: 2.59
Hydrogen bonds acceptors: 6
Hydrogen bonds donors: 3
Rotatable bonds: 2
Number of rings: 3
Molecular Weight: 300.06
Topological polar surface area: 96.2
Number of aromatic rings: 3
Fsp3: 0.062
Number of carbons: 16

Plant sources

Part of plant Plant name Ref.
PlantSanguisorba officinalis
PlantConvallaria majalis
PlantBergenia crassifolia
PlantMalva sylvestris
PlantTaraxacum officinale
PlantTaraxacum officinale
PlantTaraxacum officinale
PlantPimpinella saxifraga
PlantNerium oleander
PlantPetroselinum crispum
PlantCamellia sinensis

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Others19.2 %Salivary alpha-amylaseP04745
Others2.5 Peroxisome proliferator-activated receptor gammaP37231
Others7.3 Peroxisome proliferator-activated receptor gammaP37231
Others2.8 Peroxisome proliferator-activated receptor alphaQ07869
Others3.8 Peroxisome proliferator-activated receptor alphaQ07869
IC502437 nMCytochrome P450 1A2P05177
IC50140 nMCytochrome P450 1A1P04798
IC5029 nMCytochrome P450 1B1Q16678
Others51.3 %Cytochrome P450 1A1P04798
Others7.1 Peroxisome proliferator-activated receptor deltaQ03181
Others4.1 Peroxisome proliferator-activated receptor deltaQ03181