Showing entry for Octanoic acid


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0002468
Compound NameOctanoic acid
Structure
FormulaC8H16O2
InchiKeyWWZKQHOCKIZLMA-UHFFFAOYSA-N
SMILESCCCCCCCC(O)=O
InchiInChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)
IUPACoctanoic acid
Molecular Weight144.21
Pubchem Id379
Chembl IdCHEMBL324846
Targets of Information Source
DrugBank DB04519
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
P0A953 BXGT007171 3-oxoacyl-[acyl-carrier-protein] synthase 1 reviewed - fabB investigational -
P0ADA1 BXGT007280 Thioesterase 1/protease 1/lysophospholipase L1 reviewed - tesA investigational -
Q07869 BXGT012945 Peroxisome proliferator-activated receptor alpha reviewed Nuclear receptor PPARA investigational -
PDB OCA
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
Q9Y9P9 BXGT022358 NAD-dependent alcohol dehydrogenase unreviewed adh - - - - -
P0ADA1 BXGT007280 Thioesterase 1/protease 1/lysophospholipase L1 reviewed tesA - - - - -
P0A953 BXGT007171 3-oxoacyl-[acyl-carrier-protein] synthase 1 reviewed fabB - - - - -
Q9NZD2 BXGT021270 Glycolipid transfer protein reviewed GLTP Transporter - - - -
Q5SLQ3 BXGT015816 Octanoyltransferase reviewed lipB - - - - -
Q9XG81 BXGT022180 Probable phospholipase A2 homolog 2 reviewed PLA2-II - - - - -
Q9I194 BXGT020697 Acyl-homoserine lactone acylase PvdQ reviewed pvdQ - - - - -
P02754 BXGT005946 Beta-lactoglobulin reviewed LGB - - - 92600 -
Q9LCQ7 BXGT021068 Oxidized polyvinyl alcohol hydrolase reviewed pvaB - - - - -
P0CE82 BXGT007462 Phospholipase D LiSicTox-alphaIA1bii reviewed - - - - -
B2HHT4 BXGT001961 Uncharacterized protein unreviewed MMAR_3356 - - - - -
Q9KLJ3 BXGT020943 3-oxoacyl-[acyl-carrier-protein] synthase 3 protein 2 reviewed fabH2 - - - - -
P02768 BXGT005955 Serum albumin reviewed ALB Transporter - - - -
Q9I834 BXGT020783 Basic phospholipase A2 homolog 2 reviewed - - - - -
Q5KW80 BXGT015469 Ribonucleotide reductase small subunit unreviewed GK2771 - - - - -
A0A0U1MWF9 BXGT024692 Triacylglycerol lipase unreviewed lip - - - - -
Q3L887 BXGT024690 Acyl-coA-dehydrogenase unreviewed fadE5 - - - - -
P19096 BXGT025469 Fatty acid synthase reviewed Fasn - - - - -
Binding DB n.a
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
CHEMBL CHEMBL324846
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
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 651 nM
Q9NSA0 BXGT021202 Solute carrier family 22 member 11 reviewed Transporter SLC22A11 Ki '=' 235500 nM
Q4U2R8 BXGT014891 Solute carrier family 22 member 6 reviewed Transporter SLC22A6 Ki '=' 5410 nM
P16473 BXGT008234 Thyrotropin receptor reviewed G-protein coupled receptor TSHR Potency '=' 3162 nM
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 44668 nM
Q8TCC7 BXGT018794 Solute carrier family 22 member 8 reviewed Transporter SLC22A8 Ki '=' 8600 nM
P04150 BXGT006154 Glucocorticoid receptor reviewed Nuclear receptor NR3C1 Potency - 56234 nM
P02545 BXGT005889 Prelamin-A/C reviewed - LMNA Potency '=' 0 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 231 nM
P04150 BXGT006154 Glucocorticoid receptor reviewed Nuclear receptor NR3C1 Potency - 1000 nM
Q9HAW9 BXGT020510 UDP-glucuronosyltransferase 1-8 reviewed - UGT1A8 Activity '=' 7 pm/min/mg
Q9HAW8 BXGT020509 UDP-glucuronosyltransferase 1-10 reviewed - UGT1A10 Activity '=' 0 pm/min/mg
P81908 BXGT011959 Cholinesterase reviewed - BCHE Inhibition '=' 3 %
O35956 BXGT004543 Solute carrier family 22 member 6 reviewed - Slc22a6 Activity - - -
O42275 BXGT004559 Acetylcholinesterase reviewed - ache Inhibition '=' 9 %
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00004 Kiwi Actinidia chinensis Fruits
BXGF00005 Allium (Onion) Allium Vegetables
BXGF00011 Cashew nut Anacardium occidentale Nuts
BXGF00016 Peanut Arachis hypogaea Nuts
BXGF00030 Common cabbage Brassica oleracea Vegetables
BXGF00032 Brussel sprouts Brassica oleracea var. gemmifera Vegetables
BXGF00036 Turnip Brassica rapa var. rapa Herbs and Spices
BXGF00038 Tea Camellia sinensis Teas
BXGF00040 Pepper (C. annuum) Capsicum annuum Vegetables
BXGF00041 Papaya Carica papaya Fruits
BXGF00050 Chinese cinnamon Cinnamomum aromaticum Herbs and Spices
BXGF00052 Watermelon Citrullus lanatus Gourds
BXGF00053 Lime Citrus aurantiifolia Fruits
BXGF00054 Lemon Citrus limon Fruits
BXGF00056 Mandarin orange (Clementine, Tangerine) Citrus reticulata Fruits
BXGF00057 Sweet orange Citrus sinensis Fruits
BXGF00058 Coffee Coffea Coffee and coffee products
BXGF00063 Saffron Crocus sativus Herbs and Spices
BXGF00064 Muskmelon Cucumis melo Gourds
BXGF00066 Cucurbita (Gourd) Cucurbita Gourds
BXGF00068 Turmeric Curcuma longa Herbs and Spices
BXGF00070 Lemon grass Cymbopogon citratus Herbs and Spices
BXGF00074 Cardamom Elettaria cardamomum Herbs and Spices
BXGF00077 Rocket salad (ssp.) Eruca vesicaria ssp. sativa Vegetables
BXGF00079 Common buckwheat Fagopyrum esculentum Cereals and cereal products
BXGF00081 Fig Ficus carica Fruits
BXGF00085 Soy bean Glycine max Soy
BXGF00087 Sea-buckthornberry Hippophae rhamnoides Fruits
BXGF00092 Sweet potato Ipomoea batatas Vegetables
BXGF00097 Sweet bay Laurus nobilis Herbs and Spices
BXGF00105 Apple Malus pumila Fruits
BXGF00107 German camomile Matricaria recutita Herbs and Spices
BXGF00108 Lemon balm Melissa officinalis Herbs and Spices
BXGF00112 Spearmint Mentha spicata Herbs and Spices
BXGF00118 Nutmeg Myristica fragrans Herbs and Spices
BXGF00130 Avocado Persea americana Vegetables
BXGF00135 Date Phoenix dactylifera Fruits
BXGF00139 Pepper (Spice) Piper nigrum Herbs and Spices
BXGF00146 Sour cherry Prunus cerasus Fruits
BXGF00147 European plum Prunus domestica Fruits
BXGF00159 Rosemary Rosmarinus officinalis Herbs and Spices
BXGF00162 Red raspberry Rubus idaeus Fruits
BXGF00165 Common sage Salvia officinalis Herbs and Spices
BXGF00166 Black elderberry Sambucus nigra Fruits
BXGF00173 Garden tomato (var.) Solanum lycopersicum var. lycopersicum Vegetables
BXGF00175 Potato Solanum tuberosum Vegetables
BXGF00179 Cloves Syzygium aromaticum Herbs and Spices
BXGF00180 Tamarind Tamarindus indica Fruits
BXGF00182 Cocoa bean Theobroma cacao Cocoa and cocoa products
BXGF00183 Common thyme Thymus vulgaris Herbs and Spices
BXGF00187 Common wheat Triticum aestivum Cereals and cereal products
BXGF00204 Common grape Vitis vinifera Fruits
BXGF00205 Corn Zea mays Cereals and cereal products
BXGF00206 Ginger Zingiber officinale Herbs and Spices
BXGF00208 Banana Musa acuminata Fruits
BXGF00231 Triticale X Triticosecale rimpaui Cereals and cereal products
BXGF00249 Other bread Cereals and cereal products
BXGF00250 Breakfast cereal Cereals and cereal products
BXGF00254 Biscuit Cereals and cereal products
BXGF00289 Giant butterbur Petasites japonicus Vegetables
BXGF00310 Coconut Cocos nucifera Fruits
BXGF00337 Ginkgo nuts Ginkgo biloba Herbs and Spices
BXGF00380 White mustard Sinapis alba Herbs and Spices
BXGF00384 Ocean pout Zoarces americanus Aquatic foods
BXGF00393 Pepper (C. frutescens) Capsicum annuum var. annuum Vegetables
BXGF00400 French plantain Musa X paradisiaca Fruits
BXGF00410 Roselle Hibiscus sabdariffa Herbs and Spices
BXGF00413 Pink salmon Oncorhynchus gorbuscha Aquatic foods
BXGF00416 Sockeye salmon Oncorhynchus nerka Aquatic foods
BXGF00454 Salmonidae (Salmon, Trout) Salmonidae Aquatic foods
BXGF00455 Cattle (Beef, Veal) Bos taurus Animal foods
BXGF00478 Clupeinae (Herring, Sardine, Sprat) Clupeinae Aquatic foods
BXGF00491 Shrimp Caridea Aquatic foods
BXGF00494 Domestic pig (Piglet, Pork) Sus scrofa domestica Animal foods
BXGF00549 Oil palm Elaeis Herbs and Spices
BXGF00563 Catfish Siluriformes Aquatic foods
BXGF00573 Liquor Beverages
BXGF00574 Cheese Milk and milk products
BXGF00575 Milk (Cow) Milk and milk products
BXGF00576 Eggs Eggs
BXGF00577 Yogurt Milk and milk products
BXGF00581 Ice cream Confectioneries
BXGF00593 Cake Confectioneries
BXGF00594 Pizza Dishes
BXGF00595 Ymer Milk and milk products
BXGF00596 Other snack food Snack foods
BXGF00598 Pastry Confectioneries
BXGF00602 Salad dressing Baking goods
BXGF00603 Sauce Baking goods
BXGF00605 Butter Milk and milk products
BXGF00606 Butter substitute Baking goods
BXGF00607 Cream Milk and milk products
BXGF00609 Sausage Dishes
BXGF00611 Mustard Baking goods
BXGF00615 Whey Milk and milk products
BXGF00616 Casein Milk and milk products
BXGF00622 Other fish product Aquatic foods
BXGF00624 Other beverage Beverages
BXGF00625 Baby food Baby foods
BXGF00627 Soup Dishes
BXGF00629 Unclassified food or beverage Unclassified
BXGF00630 Syrup Baking goods
BXGF00633 Chocolate spread Confectioneries
BXGF00635 Curry powder Herbs and Spices
BXGF00636 Other candy Confectioneries
BXGF00641 Cocoa powder Cocoa and cocoa products
BXGF00642 Chocolate Cocoa and cocoa products
BXGF00643 Hot chocolate Cocoa and cocoa products
BXGF00644 Dried milk Milk and milk products
BXGF00645 Milk (Other mammals) Milk and milk products
BXGF00646 Kefir Milk and milk products
BXGF00647 Buttermilk Milk and milk products
BXGF00648 Other fermented milk Milk and milk products
BXGF00652 Zwieback Cereals and cereal products
BXGF00655 Icing Confectioneries
BXGF00656 Snack bar Snack foods
BXGF00659 Burrito Dishes
BXGF00660 Hamburger Dishes
BXGF00662 Chili Dishes
BXGF00663 Taco Dishes
BXGF00664 Tortilla Cereals and cereal products
BXGF00665 Nachos Dishes
BXGF00666 Processed cheese Milk and milk products
BXGF00667 Salad Dishes
BXGF00668 Cream substitute Baking goods
BXGF00669 Dulce de leche Confectioneries
BXGF00670 Topping Baking goods
BXGF00671 Sweet custard Confectioneries
BXGF00672 Egg roll Dishes
BXGF00674 Popcorn Snack foods
BXGF00675 Potato chip Snack foods
BXGF00676 Tortilla chip Snack foods
BXGF00677 Corn chip Snack foods
BXGF00681 Junket Confectioneries
BXGF00684 Other frozen dessert Confectioneries
BXGF00685 Lasagna Dishes
BXGF00687 Pancake Dishes
BXGF00689 Pudding Confectioneries
BXGF00690 Waffle Dishes
BXGF00694 Cocktail Beverages
BXGF00696 Bulgur Cereals and cereal products
BXGF00697 Coffee substitute Baking goods
BXGF00698 Coffee mocha Coffee and coffee products
BXGF00703 Quesadilla Dishes
BXGF00707 Enchilada Dishes
BXGF00709 Nutritional drink Beverages
BXGF00710 Other sandwich Dishes
BXGF00712 Breakfast sandwich Dishes
BXGF00714 Macaroni and cheese Dishes
BXGF00715 Butterfat Milk and milk products
BXGF00717 Hushpuppy Dishes
BXGF00720 Other fruit product Fruits
BXGF00723 Vegetarian food Dishes
BXGF00725 Mixed nuts Nuts
BXGF00727 Babassu palm Attalea speciosa Herbs and Spices
BXGF00729 Shea tree Vitellaria paradoxa Herbs and Spices
BXGF00736 Pie Confectioneries
BXGF00737 Shortening Fats and oils
BXGF00739 Ice cream cone Baking goods
BXGF00741 Cracker Snack foods
BXGF00745 Ravioli Dishes
BXGF00747 Other pasta dish Dishes
BXGF00749 Tamale Dishes
BXGF00752 Evaporated milk Milk and milk products
BXGF00758 Other bread product Cereals and cereal products
BXGF00759 Piki bread Cereals and cereal products
BXGF00760 French toast Cereals and cereal products
BXGF00761 Wheat bread Cereals and cereal products
BXGF00762 Rye bread Cereals and cereal products
BXGF00763 Oat bread Cereals and cereal products
BXGF00765 Cornbread Cereals and cereal products
BXGF00766 Corn grits Cereals and cereal products
BXGF00772 Trail mix Snack foods
BXGF00774 Fruit-flavor drink Beverages
BXGF00778 Frozen yogurt Confectioneries
BXGF00779 Milkshake Confectioneries
BXGF00780 Chocolate mousse Confectioneries
BXGF00782 Pupusa Dishes
BXGF00784 Arepa Dishes
BXGF00789 Other dish Dishes
BXGF00790 Pot pie Dishes
BXGF00791 Stuffing Baking goods
BXGF00792 Edible shell Baking goods
BXGF00793 Fudge Confectioneries
BXGF00794 Candy bar Confectioneries
BXGF00795 Condensed milk Milk and milk products
BXGF00796 Margarine Fats and oils
BXGF00797 Margarine-like spread Fats and oils
BXGF00800 Potato gratin Dishes
BXGF00801 Milk substitute Baking goods
BXGF00806 Alcoholic beverages Beverages
BXGF00808 Pomes Fruits
BXGF00811 Citrus Fruits
BXGF00815 Milk and milk products Milk and milk products
BXGF00823 Fruits Fruits
BXGF00826 Sunburst squash (pattypan squash) Cucurbita pepo var. clypeata Gourds
BXGF00829 Green bell pepper Capsicum annuum Vegetables
BXGF00830 Yellow bell pepper Capsicum annuum Vegetables
BXGF00831 Orange bell pepper Capsicum annuum Vegetables
BXGF00832 Red bell pepper Capsicum annuum Vegetables
BXGF00838 Japanese pumpkin Cucurbita maxima Gourds
BXGF00841 Cow milk, pasteurized, vitamin A + D added, 0% fat Milk and milk products
BXGF00842 Cow milk, pasteurized, vitamin A + D added, 1% fat Milk and milk products
BXGF00843 Cow milk, pasteurized, vitamin A + D added, 2% fat Milk and milk products
BXGF00844 Cow milk, pasteurized, vitamin D added, 3.25% fat Milk and milk products
BXGF01081 Akebia trifoliata Akebia trifoliata Medicinal Plant
BXGF01140 Angelica gigas Angelica gigas Medicinal Plant
BXGF01721 Humulus lupulus Humulus lupulus Medicinal Plant
BXGF01911 Bupleurum scorzonerifolium Bupleurum scorzonerifolium Medicinal Plant
BXGF02009 Phyllosma capensis Phyllosma capensis Others
BXGF02024 Actaea dahurica Actaea dahurica Human Edible Plant
BXGF02035 Proustia ilicifolia Proustia ilicifolia Others
BXGF02049 Angelica sinensis Angelica sinensis Medicinal Plant
BXGF02143 Actaea cimicifuga Actaea cimicifuga Medicinal Plant
BXGF02268 Ginkgo semen Ginkgo semen Others
BXGF02359 Eucommia ulmoides Eucommia ulmoides Medicinal Plant
BXGF02425 Ephedra herba Ephedra herba Others
BXGF02612 Mosla chinensis Mosla chinensis Medicinal Plant
BXGF02787 Melia azedarach Melia azedarach Medicinal Plant
BXGF02927 Akebia quinata Akebia quinata Medicinal Plant
BXGF03130 Panax quinquefolius Panax quinquefolius Medicinal Plant
BXGF03164 Patrinia scabiosifolia Patrinia scabiosifolia Medicinal Plant
BXGF03243 Elsholtzia ciliata Elsholtzia ciliata Medicinal Plant
BXGF03348 Panax notoginseng Panax notoginseng Medicinal Plant
BXGF03735 Hansenia weberbaueriana Hansenia weberbaueriana Others
BXGF03865 Hansenia forbesii Hansenia forbesii Others
BXGF03970 Goniothalamus borneensis Goniothalamus borneensis Others
BXGF04402 Actaea simplex Actaea simplex Others
BXGF04605 Senna alexandrina Senna alexandrina Medicinal Plant
BXGF04820 Panax ginseng Panax ginseng 0
BXGF04842 Angelica acutiloba Angelica acutiloba Medicinal Plant
BXGF04875 Bupleurum chinense Bupleurum chinense Medicinal Plant
BXGF04900 Ostericum grosseserratum Ostericum grosseserratum Human Edible Plant
BXGF04909 Hippophae fructus Hippophae fructus Others
BXGF04981 Bupleurum falcatum Bupleurum falcatum Medicinal Plant
BXGF04982 Ligusticum chuanxiong Ligusticum chuanxiong Medicinal Plant
BXGF05024 Jacobaea maritima Jacobaea maritima Others
BXGF05358 Codonopsis radix Codonopsis radix Others
BXGF05462 Campsis flos Campsis flos Others
BXGF05571 Ziziphus jujuba Ziziphus jujuba Medicinal Plant
BXGF05816 Fraxinus quadrangulata Fraxinus quadrangulata Medicinal Plant
BXGF05819 Citrus aurantium Citrus aurantium Medicinal Plant
BXGF05962 Rehmannia glutinosa Rehmannia glutinosa Medicinal Plant
BXGF06026 Magnolia officinalis rehd et wils Magnolia officinalis rehd et wils Others
BXGF06107 Glehnia littoralis Glehnia littoralis Medicinal Plant
BXGF06148 Patrinia villosa Patrinia villosa Medicinal Plant
BXGF06181 Adiantum capillus-veneris Adiantum capillus-veneris 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