acompound

Showing entry for Vitamin D3

General Compound Information
BXGC Id	BXGC0006310
Compound Name	Vitamin D3
Structure
Formula	C27H44O
InchiKey	QYSXJUFSXHHAJI-FWSOMWAYSA-N
SMILES	CC(C)CCCC(C)C1CCC2\C(CCCC12C)=C\C=C1/CC(O)CCC1=C
Inchi	InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13+
IUPAC	(1S,3Z)-3-{2-[(1R,3aS,4E,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexan-1-ol
Molecular Weight	384.64
Pubchem Id	5353527
Chembl Id	CHEMBL1354424

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

n.a

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

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

CHEMBL1354424

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
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	Potency	'='	31622	nM
P16050	BXGT008184	Arachidonate 15-lipoxygenase	reviewed	Enzyme	ALOX15	Potency	'='	15848	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	26608	nM
Q03164	BXGT012700	Histone-lysine N-methyltransferase 2A	reviewed	-	KMT2A	Potency	'='	39810	nM
O00255	BXGT003903	Menin	reviewed	-	MEN1	Potency	'='	39810	nM
P51450	BXGT010847	Nuclear receptor ROR-gamma	reviewed	-	Rorc	Potency	'='	35481	nM
P00352	BXGT005510	Retinal dehydrogenase 1	reviewed	Enzyme	ALDH1A1	Potency	'='	39810	nM
P10636	BXGT007596	Microtubule-associated protein tau	reviewed	-	MAPT	Potency	'='	31622	nM
P25779	BXGT009067	Cruzipain	reviewed	-		Potency	'='	15848	nM
Q9UBT6	BXGT021664	DNA polymerase kappa	reviewed	-	POLK	Potency	-	11220	nM
P51450	BXGT010847	Nuclear receptor ROR-gamma	reviewed	-	Rorc	Potency	'='	7079	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	23715	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00057	Sweet orange	Citrus sinensis	Fruits
BXGF00175	Potato	Solanum tuberosum	Vegetables
BXGF00205	Corn	Zea mays	Cereals and cereal products
BXGF00250	Breakfast cereal		Cereals and cereal products
BXGF00270	Atlantic herring	Clupea harengus harengus	Aquatic foods
BXGF00271	Atlantic mackerel	Scomber scombrus	Aquatic foods
BXGF00272	Painted comber	Serranus scriba	Aquatic foods
BXGF00273	Atlantic pollock	Pollachius pollachius	Aquatic foods
BXGF00282	Northern bluefin tuna	Thunnus thynnus	Aquatic foods
BXGF00297	Common carp	Cyprinus carpio	Aquatic foods
BXGF00299	Channel catfish	Ictalurus punctatus	Aquatic foods
BXGF00308	Cisco	Coregonus artedi	Aquatic foods
BXGF00311	Pacific cod	Gadus macrocephalus	Aquatic foods
BXGF00312	Atlantic cod	Gadus morhua	Aquatic foods
BXGF00319	Atlantic croaker	Micropogonias undulatus	Aquatic foods
BXGF00329	Freshwater eel	Anguilla	Aquatic foods
BXGF00332	European anchovy	Engraulis encrasicolus	Aquatic foods
BXGF00336	Florida pompano	Trachinotus carolinus	Aquatic foods
BXGF00339	Greenland halibut/turbot	Reinhardtius hippoglossoides	Aquatic foods
BXGF00342	Haddock	Melanogrammus aeglefinus	Aquatic foods
BXGF00343	Hippoglossus (Common halibut)	Hippoglossus	Aquatic foods
BXGF00350	Pacific jack mackerel	Trachurus symmetricus	Aquatic foods
BXGF00379	Striped mullet	Mugil cephalus	Aquatic foods
BXGF00392	Pacific rockfish	Sebastes	Aquatic foods
BXGF00395	Northern pike	Esox lucius	Aquatic foods
BXGF00406	Rainbow smelt	Osmerus mordax	Aquatic foods
BXGF00407	Rainbow trout	Oncorhynchus mykiss	Aquatic foods
BXGF00413	Pink salmon	Oncorhynchus gorbuscha	Aquatic foods
BXGF00414	Chum salmon	Oncorhynchus keta	Aquatic foods
BXGF00415	Coho salmon	Oncorhynchus kisutch	Aquatic foods
BXGF00416	Sockeye salmon	Oncorhynchus nerka	Aquatic foods
BXGF00417	Chinook salmon	Oncorhynchus tshawytscha	Aquatic foods
BXGF00423	Spanish mackerel	Scomberomorus maculatus	Aquatic foods
BXGF00424	Pacific sardine	Sardinops sagax	Aquatic foods
BXGF00426	Scup	Stenotomus chrysops	Aquatic foods
BXGF00433	American shad	Alosa sapidissima	Aquatic foods
BXGF00434	Shark	Squaliformes	Aquatic foods
BXGF00439	Snapper	Lutjanidae	Aquatic foods
BXGF00444	Greater sturgeon	Acipenser	Aquatic foods
BXGF00448	Swordfish	Xiphias gladius	Aquatic foods
BXGF00454	Salmonidae (Salmon, Trout)	Salmonidae	Aquatic foods
BXGF00455	Cattle (Beef, Veal)	Bos taurus	Animal foods
BXGF00457	Alaska pollock	Theragra chalcogramma	Aquatic foods
BXGF00462	Whitefish	Coregonus	Aquatic foods
BXGF00463	Whiting	Merlangius merlangus	Aquatic foods
BXGF00470	Yellowfin tuna	Thunnus albacares	Aquatic foods
BXGF00473	Albacore tuna	Thunnus alalunga	Aquatic foods
BXGF00474	Gadus (Common cod)	Gadus	Aquatic foods
BXGF00478	Clupeinae (Herring, Sardine, Sprat)	Clupeinae	Aquatic foods
BXGF00484	Percoidei (Bass and others)	Percoidei	Aquatic foods
BXGF00485	Perciformes (Perch-like fishes)	Perciformes	Aquatic foods
BXGF00489	Bivalvia (Clam, Mussel, Oyster)	Bivalvia	Aquatic foods
BXGF00491	Shrimp	Caridea	Aquatic foods
BXGF00493	Flatfish	Pleuronectiformes	Aquatic foods
BXGF00494	Domestic pig (Piglet, Pork)	Sus scrofa domestica	Animal foods
BXGF00499	Quail	Phasianidae	Animal foods
BXGF00528	Sturgeon	Acipenseridae	Aquatic foods
BXGF00536	True frog	Ranidae	Aquatic foods
BXGF00540	Lake trout	Salvelinus namaycush	Aquatic foods
BXGF00544	Scombridae (Bonito, Mackerel, Tuna)	Scombridae	Aquatic foods
BXGF00565	Thunnus (Common tuna)	Thunnus	Aquatic foods
BXGF00568	Columbidae (Dove, Pigeon)	Columbidae	Animal foods
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
BXGF00595	Ymer		Milk and milk products
BXGF00603	Sauce		Baking goods
BXGF00605	Butter		Milk and milk products
BXGF00607	Cream		Milk and milk products
BXGF00609	Sausage		Dishes
BXGF00615	Whey		Milk and milk products
BXGF00622	Other fish product		Aquatic foods
BXGF00623	Milk (Human)		Milk and milk products
BXGF00624	Other beverage		Beverages
BXGF00625	Baby food		Baby foods
BXGF00627	Soup		Dishes
BXGF00631	Tallow		Fats and oils
BXGF00638	Lard		Fats and oils
BXGF00639	Other animal fat		Fats and oils
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
BXGF00653	Roe		Aquatic foods
BXGF00654	Cichlidae (Tilapia)	Cichlidae	Aquatic foods
BXGF00655	Icing		Confectioneries
BXGF00656	Snack bar		Snack foods
BXGF00660	Hamburger		Dishes
BXGF00666	Processed cheese		Milk and milk products
BXGF00669	Dulce de leche		Confectioneries
BXGF00670	Topping		Baking goods
BXGF00671	Sweet custard		Confectioneries
BXGF00684	Other frozen dessert		Confectioneries
BXGF00687	Pancake		Dishes
BXGF00689	Pudding		Confectioneries
BXGF00706	Spread		Baking goods
BXGF00708	Egg substitute		Baking goods
BXGF00709	Nutritional drink		Beverages
BXGF00715	Butterfat		Milk and milk products
BXGF00724	Cold cut		Dishes
BXGF00739	Ice cream cone		Baking goods
BXGF00746	Scrapple		Dishes
BXGF00752	Evaporated milk		Milk and milk products
BXGF00778	Frozen yogurt		Confectioneries
BXGF00779	Milkshake		Confectioneries
BXGF00781	Dripping		Fats and oils
BXGF00789	Other dish		Dishes
BXGF00795	Condensed milk		Milk and milk products
BXGF00817	Fishes		Aquatic foods
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

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}