acompound

Showing entry for Ergost-24(28)-Ene-3-Beta,5-Alpha,6-Beta,7-Beta-Tetrol

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0028602
Compound Name	Ergost-24(28)-Ene-3-Beta,5-Alpha,6-Beta,7-Beta-Tetrol
Structure
Formula	C28H48O4
InchiKey	CSEIKYIGVBFUKD-MISHLHQHSA-N
SMILES	O[C@H]1CC[C@]2([C@@](C1)(O)[C@H](O)[C@@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=C)C(C)C)C)C)O)C
Inchi	InChI=1S/C28H48O4/c1-16(2)17(3)7-8-18(4)20-9-10-21-23-22(12-13-26(20,21)5)27(6)14-11-19(29)15-28(27,32)25(31)24(23)30/h16,18-25,29-32H,3,7-15H2,1-2,4-6H3/t18-,19+,20-,21+,22+,23+,24-,25-,26-,27-,28+/m1/s1
IUPAC	(3S,5R,6R,7R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6,7-tetrol
Molecular Weight	448.36
Pubchem Id	11037703
Chembl Id	CHEMBL520370

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

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	BXGT013315	Oxysterols receptor LXR-alpha	reviewed	Nuclear receptor	NR1H3	-	-	-	170

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
Q13133	BXGT013315	Oxysterols receptor LXR-alpha	reviewed	Nuclear receptor	NR1H3	EC50	'='	170	nM
P55055	BXGT011101	Oxysterols receptor LXR-beta	reviewed	Nuclear receptor	NR1H2	FC	-	-	-
P55055	BXGT011101	Oxysterols receptor LXR-beta	reviewed	Nuclear receptor	NR1H2	LC50	-	-	-
Q13133	BXGT013315	Oxysterols receptor LXR-alpha	reviewed	Nuclear receptor	NR1H3	FC	-	-	-
P55055	BXGT011101	Oxysterols receptor LXR-beta	reviewed	Nuclear receptor	NR1H2	Activity	-	-	-
Q13133	BXGT013315	Oxysterols receptor LXR-alpha	reviewed	Nuclear receptor	NR1H3	LC50	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00837	Nanking cherry	Prunus tomentosa	Fruits
BXGF01190	Astragalus sevangensis	Astragalus sevangensis	Others
BXGF01398	Elsholtzia blanda	Elsholtzia blanda	Human Edible Plant
BXGF05214	Eupatorium sternbergianum	Eupatorium sternbergianum	Human Edible Plant
BXGF05431	Citrus natsudaidai	Citrus natsudaidai	Human Edible Plant
BXGF06297	Polanisia dodecandra	Polanisia dodecandra	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}