Showing entry for Acetophenone


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0005832
Compound NameAcetophenone
Structure
FormulaC8H8O
InchiKeyKWOLFJPFCHCOCG-UHFFFAOYSA-N
SMILESCC(=O)C1=CC=CC=C1
InchiInChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3
IUPAC1-phenylethan-1-one
Molecular Weight120.15
Pubchem Id7410
Chembl IdCHEMBL274467
Targets of Information Source
DrugBank DB04619
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
Q84EX5 BXGT017551 R-specific alcohol dehydrogenase unreviewed - radh experimental -
PDB AC0
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
Q84EX5 BXGT017551 R-specific alcohol dehydrogenase unreviewed radh - - - - -
O58216 BXGT004785 Uncharacterized protein unreviewed PH0459 - - - - -
Binding DB 50236986
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 BXGT010750 Glycogen synthase kinase-3 beta reviewed Kinase GSK3B - >100000 - -
reviewed BXGT004563 Polyphenol oxidase 2 reviewed PPO2 - 850000 - -
CHEMBL CHEMBL274467
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
P23457 BXGT008867 3-alpha-hydroxysteroid dehydrogenase reviewed - Akr1c9 Vmax '=' 0 micromol/min
P35398 BXGT009825 Nuclear receptor ROR-alpha reviewed Nuclear receptor RORA Inhibition - - -
Q92753 BXGT019369 Nuclear receptor ROR-beta reviewed Nuclear receptor RORB Inhibition '<' 5 %
P23457 BXGT008867 3-alpha-hydroxysteroid dehydrogenase reviewed - Akr1c9 Ratio '=' 49 uL/min
O42713 BXGT004563 Polyphenol oxidase 2 reviewed - PPO2 IC50 '=' 850000 nM
P02769 BXGT005956 Serum albumin reviewed - ALB Log 1/C '=' 3 -
P49841 BXGT010750 Glycogen synthase kinase-3 beta reviewed Kinase GSK3B IC50 '>' 100000 nM
P51449 BXGT010846 Nuclear receptor ROR-gamma reviewed Nuclear receptor RORC Inhibition '=' 5 %
Q13464 BXGT013357 Rho-associated protein kinase 1 reviewed Kinase ROCK1 Activity '=' 60 %
P23457 BXGT008867 3-alpha-hydroxysteroid dehydrogenase reviewed - Akr1c9 Km '=' 10400000 nM
P51449 BXGT010846 Nuclear receptor ROR-gamma reviewed Nuclear receptor RORC Inhibition '<' 5 %
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00015 Wild celery Apium graveolens Herbs and Spices
BXGF00038 Tea Camellia sinensis Teas
BXGF00049 Chicory Cichorium intybus Vegetables
BXGF00050 Chinese cinnamon Cinnamomum aromaticum Herbs and Spices
BXGF00052 Watermelon Citrullus lanatus Gourds
BXGF00077 Rocket salad (ssp.) Eruca vesicaria ssp. sativa Vegetables
BXGF00087 Sea-buckthornberry Hippophae rhamnoides Fruits
BXGF00112 Spearmint Mentha spicata Herbs and Spices
BXGF00139 Pepper (Spice) Piper nigrum Herbs and Spices
BXGF00179 Cloves Syzygium aromaticum Herbs and Spices
BXGF00204 Common grape Vitis vinifera Fruits
BXGF00902 Liquidambar orientalis Liquidambar orientalis Medicinal Plant
BXGF01185 Aloe vera Aloe vera Medicinal Plant
BXGF01721 Humulus lupulus Humulus lupulus Medicinal Plant
BXGF01900 Aloe ferox Aloe ferox Medicinal Plant
BXGF02167 Scutellaria barbata Scutellaria barbata Medicinal Plant
BXGF02182 Atractylodes lancea Atractylodes lancea Medicinal Plant
BXGF02425 Ephedra herba Ephedra herba Others
BXGF02567 Lycium chinense Lycium chinense Medicinal Plant
BXGF02612 Mosla chinensis Mosla chinensis Medicinal Plant
BXGF03162 Atractylodes macrocephala Atractylodes macrocephala Medicinal Plant
BXGF03243 Elsholtzia ciliata Elsholtzia ciliata Medicinal Plant
BXGF03259 Populus balsamifera Populus balsamifera Medicinal Plant
BXGF03348 Panax notoginseng Panax notoginseng Medicinal Plant
BXGF03580 Urtica dioica Urtica dioica Medicinal Plant
BXGF03645 Lycium barbarum Lycium barbarum Medicinal Plant
BXGF04217 Agastache rugosa Agastache rugosa Medicinal Plant
BXGF04631 Aloe spicata Aloe spicata Medicinal Plant
BXGF04926 Aloe africana Aloe africana Medicinal 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