Phyto4Health

Pomiferin

Representations & DB's id
ChEBI: CHEBI:8329
ChEMBL: CHEMBL393136
PubChem: 4871
IUPAC: 3-(3,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)pyrano[2,3-h]chromen-4-one
Standard InChI: InChI=1S/C25H24O6/c1-13(2)5-7-15-21(28)20-22(29)17(14-6-8-18(26)19(27)11-14)12-30-24(20)16-9-10-25(3,4)31-23(15)16/h5-6,8-12,26-28H,7H2,1-4H3
Standard InChI Key: GHCZYXUOYFOXIP-UHFFFAOYSA-N
SMILES: CC(=CCc1c2OC(C)(C)C=Cc2c2c(c1O)c(=O)c(co2)c1ccc(c(c1)O)O)C

Molecular propeties
AlogP: 5.27
Hydrogen bonds acceptors: 6
Hydrogen bonds donors: 3
Rotatable bonds: 3
Number of rings: 4
Molecular Weight: 420.16
Topological polar surface area: 96.2
Number of aromatic rings: 3
Fsp3: 0.24
Number of carbons: 25

Plant sources

Part of plant Plant name Ref.
PlantRosa roxburghii

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Potency39810.7 nMLysine-specific demethylase 4D-likeB2RXH2
Potency39810.7 nMCaspase-7P55210
Potency35481.3 nMSurvival motor neuron proteinQ16637
Potency1995.3 nMCytochrome P450 2C19P33261
Potency12589.3 nMMicrotubule-associated protein tauP10636
Potency3981.1 nMHypoxia-inducible factor 1 alphaQ16665
Potency562.3 nMAldehyde dehydrogenase 1A1P00352
Potency39810.7 nMAldehyde dehydrogenase 1A1P00352
Potency12589.3 nMArachidonate 15-lipoxygenaseP16050
Potency3981.1 nMArachidonate 15-lipoxygenaseP16050
Potency3981.1 nMHypoxia-inducible factor 1 alphaQ16665
Potency25118.9 nMMicrotubule-associated protein tauP10636
Potency12589.3 nMMAP kinase ERK2P28482
Potency10000 nMUbiquitin carboxyl-terminal hydrolase 2O75604
Potency28183.8 nMMAP kinase ERK2P28482
Potency31622.8 nMCellular tumor antigen p53P04637
Potency31622.8 nMCellular tumor antigen p53P04637
Potency31622.8 nMCytochrome P450 3A4P08684
Potency31622.8 nMCytochrome P450 3A4P08684
Potency3162.3 nMCytochrome P450 2C9P11712
Potency22387.2 nMLysine-specific demethylase 4AO75164
Potency29092.9 nMNuclear factor erythroid 2-related factor 2Q16236
Potency9200 nMGemininO75496
Potency28183.8 nMAtaxin-2Q99700
Potency22387.2 nMGlucagon-like peptide 1 receptorP43220
Potency14125.4 nMBreast cancer type 1 susceptibility proteinP38398
Potency11220.2 nMGlycoprotein hormones alpha chainP01215