Showing entry for Oxyresveratrol


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0039172
Compound NameOxyresveratrol
Structure
FormulaC14H12O4
InchiKeyPDHAOJSHSJQANO-OWOJBTEDSA-N
SMILESOc1ccc(c(c1)O)/C=C/c1cc(O)cc(c1)O
InchiInChI=1S/C14H12O4/c15-11-4-3-10(14(18)8-11)2-1-9-5-12(16)7-13(17)6-9/h1-8,15-18H/b2-1+
IUPAC4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,3-diol
Molecular Weight244.07
Pubchem Id5281717
Chembl IdCHEMBL43065
Targets of Information Source
DrugBank n.a
Uniport Id BXGT Id Protein Name Status Protein Class Gene Groups Target Type
Uniport Id BXGT Id Protein Name Status Protein Class Gene Groups Target Type
PDB EZE
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM Ka M-1
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM Ka M-1
A0A452CSY5 BXGT024080 Glutathione S-transferase omega 2S unreviewed TRAPUB_12770 - - - - -
Binding DB 50108046
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM EC50 nM
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM EC50 nM
reviewed BXGT020189 Serine/threonine-protein kinase 33 reviewed Kinase STK33 - - - 9657
reviewed BXGT006265 Cytochrome P450 1A1 reviewed Enzyme CYP1A1 - 15000 - -
reviewed BXGT013656 Cytochrome P450 1B1 reviewed Enzyme CYP1B1 - 34000 - -
reviewed BXGT005592 Pancreatic triacylglycerol lipase reviewed PNLIP - >70000 - -
reviewed BXGT004563 Polyphenol oxidase 2 reviewed PPO2 22000 - - -
reviewed BXGT004563 Polyphenol oxidase 2 reviewed PPO2 28000 - - -
reviewed BXGT008039 Tyrosinase reviewed Enzyme TYR - 12700 - -
reviewed BXGT008837 Prostaglandin G/H synthase 1 reviewed Enzyme PTGS1 - 1400 - -
reviewed BXGT009816 Prostaglandin G/H synthase 2 reviewed Enzyme PTGS2 - 109000 - -
reviewed BXGT006757 72 kDa type IV collagenase reviewed Enzyme MMP2 - 27600 - -
CHEMBL CHEMBL43065
Uniport Id BXGT Id Protein Name Status Protein Class Gene width="10%">Type Relation value Units
Uniport Id BXGT Id Protein Name Status Protein Class Gene Type Relation value Units
Q96QE3 BXGT019718 ATPase family AAA domain-containing protein 5 reviewed - ATAD5 Potency - 23099 nM
O75164 BXGT005104 Lysine-specific demethylase 4A reviewed - KDM4A Potency - 79432 nM
P00591 BXGT005592 Pancreatic triacylglycerol lipase reviewed - PNLIP IC50 '>' 70000 nM
O42713 BXGT004563 Polyphenol oxidase 2 reviewed - PPO2 Ki '=' 28000 nM
P03956 BXGT006120 Interstitial collagenase reviewed Enzyme MMP1 IC50 - - -
P04798 BXGT006265 Cytochrome P450 1A1 reviewed Enzyme CYP1A1 IC50 '=' 15000 nM
O75874 BXGT005157 Isocitrate dehydrogenase [NADP] cytoplasmic reviewed - IDH1 Potency - 18356 nM
Q16678 BXGT013656 Cytochrome P450 1B1 reviewed Enzyme CYP1B1 IC50 '=' 34000 nM
P23219 BXGT008837 Prostaglandin G/H synthase 1 reviewed Enzyme PTGS1 IC50 '=' 1400 nM
Q13148 BXGT013318 TAR DNA-binding protein 43 reviewed - TARDBP Potency - 35481 nM
P14780 BXGT008053 Matrix metalloproteinase-9 reviewed Enzyme MMP9 IC50 - - -
O95149 BXGT005350 Snurportin-1 reviewed - SNUPN Potency - 2310 nM
Q14974 BXGT013516 Importin subunit beta-1 reviewed Transporter KPNB1 Potency - 2310 nM
P62826 BXGT011463 GTP-binding nuclear protein Ran reviewed Enzyme modulator RAN Potency - 2310 nM
P14679 BXGT008039 Tyrosinase reviewed Enzyme TYR Inhibition '=' 83 %
O42713 BXGT004563 Polyphenol oxidase 2 reviewed - PPO2 Ki '=' 22000 nM
P08659 BXGT006805 Luciferin 4-monooxygenase reviewed - Potency - 14125 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 18356 nM
P05177 BXGT006336 Cytochrome P450 1A2 reviewed Enzyme CYP1A2 IC50 '=' 150000 nM
P14679 BXGT008039 Tyrosinase reviewed Enzyme TYR IC50 '=' 12700 nM
P35354 BXGT009816 Prostaglandin G/H synthase 2 reviewed Enzyme PTGS2 IC50 '=' 109000 nM
Q96QE3 BXGT019718 ATPase family AAA domain-containing protein 5 reviewed - ATAD5 Potency - 32629 nM
P80244 BXGT011887 ATP-dependent Clp protease proteolytic subunit reviewed - clpP Potency - 25118 nM
Q9Y2R2 BXGT022243 Tyrosine-protein phosphatase non-receptor type 22 reviewed - PTPN22 IC50 '=' 31450 nM
P08253 BXGT006757 72 kDa type IV collagenase reviewed Enzyme MMP2 IC50 '=' 27600 nM
P04637 BXGT006243 Cellular tumor antigen p53 reviewed Transcription factor TP53 Potency - 22387 nM
P38398 BXGT010037 Breast cancer type 1 susceptibility protein reviewed Enzyme BRCA1 Potency - 35481 nM
P45452 BXGT010462 Collagenase 3 reviewed Enzyme MMP13 IC50 - - -
Q77YF9 BXGT016886 Protein Vpr unreviewed - vpr Potency - 31622 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 16360 nM
P37840 BXGT010015 Alpha-synuclein reviewed Transporter SNCA Potency - 14125 nM
P39900 BXGT010148 Macrophage metalloelastase reviewed Enzyme MMP12 IC50 - - -
P08254 BXGT006758 Stromelysin-1 reviewed Enzyme MMP3 IC50 - - -
P08253 BXGT006757 72 kDa type IV collagenase reviewed Enzyme MMP2 Inhibition '>' 30 %
P17405 BXGT008304 Sphingomyelin phosphodiesterase reviewed Enzyme SMPD1 Potency - 25118 nM
A0A045ISB3 BXGT026108 Phosphotyrosine protein phosphatase unreviewed - ptbB IC50 '=' 8420 nM
P00591 BXGT005592 Pancreatic triacylglycerol lipase reviewed - PNLIP Inhibition '=' 28 %
P06276 BXGT006430 Cholinesterase reviewed - BCHE IC50 '=' 2950 nM
P9WIA1 BXGT012314 Probable low molecular weight protein-tyrosine-phosphatase reviewed - ptpA IC50 '=' 67230 nM
Q05209 BXGT026141 Tyrosine-protein phosphatase non-receptor type 12 reviewed - PTPN12 IC50 '>' 100000 nM
A0A045ISB3 BXGT026108 Phosphotyrosine protein phosphatase unreviewed - ptbB IC50 '=' 8511 nM
P18031 BXGT008369 Tyrosine-protein phosphatase non-receptor type 1 reviewed - PTPN1 IC50 '=' 27130 nM
O42275 BXGT004559 Acetylcholinesterase reviewed - ache Inhibition - - -
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00947 Artocarpus dadah Artocarpus dadah Medicinal Plant
BXGF03527 Alpinia oxyphylla Alpinia oxyphylla Medicinal Plant
BXGF04053 Smilax china Smilax china Medicinal Plant
BXGF04607 Morus alba Morus alba Medicinal Plant
BXGF04800 Leptactina senegambica Leptactina senegambica Others
BXGF05362 Veratrum grandiflorum Veratrum grandiflorum Medicinal Plant
BXGF05787 Smilax glabra Smilax glabra Medicinal Plant
BXGF06007 Canthium berberidifolium Canthium berberidifolium Medicinal Plant
BXGF06328 Garcinia quaesita Garcinia quaesita Human Edible Plant
The  compound-realted  diseases
Diseases
BXGD Id Disease Name CUI Disease Id Disease Class Name Number of targets?Number of targets related to compound connecting disease, higher numbers indicate the compound is more associated with the disease