acompound

General Compound Information
BXGC Id	BXGC0006219
Compound Name	Ergosterol
Structure
Formula	C28H44O
InchiKey	DNVPQKQSNYMLRS-BQYQJAHWSA-N
SMILES	CC(C)C(C)\C=C\C(C)C1CCC2C3=CC=C4CC(O)CCC4(C)C3CCC12C
Inchi	InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+
IUPAC	(2R,5S,15R)-14-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.02,?.011,1?]heptadeca-7,9-dien-5-ol
Molecular Weight	396.65
Pubchem Id	5319551
Chembl Id	CHEMBL1512075

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

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
P00352	BXGT005510	Retinal dehydrogenase 1	reviewed	Enzyme	ALDH1A1	Potency	'='	39810	nM
P16050	BXGT008184	Arachidonate 15-lipoxygenase	reviewed	Enzyme	ALOX15	Potency	'='	31622	nM
P10636	BXGT007596	Microtubule-associated protein tau	reviewed	-	MAPT	Potency	'='	17782	nM
P11473	BXGT007709	Vitamin D3 receptor	reviewed	Nuclear receptor	VDR	Potency	-	50118	nM
P25779	BXGT009067	Cruzipain	reviewed	-		Potency	'='	39810	nM
O94782	BXGT005332	Ubiquitin carboxyl-terminal hydrolase 1	reviewed	Enzyme	USP1	Potency	-	79432	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00013	Dill	Anethum graveolens	Herbs and Spices
BXGF00074	Cardamom	Elettaria cardamomum	Herbs and Spices
BXGF00085	Soy bean	Glycine max	Soy
BXGF00095	Lettuce	Lactuca sativa	Vegetables
BXGF00125	Rice	Oryza sativa	Cereals and cereal products
BXGF00135	Date	Phoenix dactylifera	Fruits
BXGF00182	Cocoa bean	Theobroma cacao	Cocoa and cocoa products
BXGF00187	Common wheat	Triticum aestivum	Cereals and cereal products
BXGF00204	Common grape	Vitis vinifera	Fruits
BXGF00205	Corn	Zea mays	Cereals and cereal products
BXGF00315	Cottonseed	Gossypium	Herbs and Spices
BXGF00337	Ginkgo nuts	Ginkgo biloba	Herbs and Spices
BXGF00410	Roselle	Hibiscus sabdariffa	Herbs and Spices
BXGF00506	Shiitake	Lentinus edodes	Vegetables
BXGF00509	Enokitake	Flammulina velutipes	Vegetables
BXGF00513	Maitake	Grifola frondosa	Vegetables
BXGF00527	Chanterelle	Cantharellus cibarius	Vegetables
BXGF00805	Mushrooms		Vegetables
BXGF03611	Viscum coloratum	Viscum coloratum	Medicinal Plant
BXGF05911	Viscum album	Viscum album	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}