acompound

Showing entry for Inokosterone

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0046850
Compound Name	Inokosterone
Structure
Formula	C27H44O7
InchiKey	JQNVCUBPURTQPQ-XDWLXSIGSA-N
SMILES	OCC(CC[C@H]([C@@]([C@H]1CC[C@@]2([C@]1(C)CC[C@H]1C2=CC(=O)[C@H]2[C@]1(C)C[C@H](O)[C@@H](C2)O)O)(O)C)O)C
Inchi	InChI=1S/C27H44O7/c1-15(14-28)5-6-23(32)26(4,33)22-8-10-27(34)17-11-19(29)18-12-20(30)21(31)13-24(18,2)16(17)7-9-25(22,27)3/h11,15-16,18,20-23,28,30-34H,5-10,12-14H2,1-4H3/t15?,16-,18-,20+,21-,22-,23+,24+,25+,26+,27+/m0/s1
IUPAC	(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,7-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
Molecular Weight	480.31
Pubchem Id	5458789
Chembl Id	CHEMBL564971

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
P34021	BXGT009746	Ecdysone receptor	reviewed	-	EcR	IC50	'='	91	nM
E5L6Y0	BXGT003128	Ultraspiracle	unreviewed	-	USP	IC50	'='	7000	nM
E5L6Y1	BXGT003129	Ecdysone receptor isoform A	unreviewed	-		IC50	'='	7000	nM
E5L6Y0	BXGT003128	Ultraspiracle	unreviewed	-	USP	Ki	'='	6700	nM
E5L6Y1	BXGT003129	Ecdysone receptor isoform A	unreviewed	-		Ki	'='	6700	nM
E5L6Y0	BXGT003128	Ultraspiracle	unreviewed	-	USP	IC50	'='	8000	nM
E5L6Y1	BXGT003129	Ecdysone receptor isoform A	unreviewed	-		IC50	'='	8000	nM
E5L6Y0	BXGT003128	Ultraspiracle	unreviewed	-	USP	Ki	'='	6000	nM
E5L6Y1	BXGT003129	Ecdysone receptor isoform A	unreviewed	-		Ki	'='	6000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01771	Achyranthes fauriei	Achyranthes fauriei	Medicinal Plant
BXGF01960	Achyranthes bidentata	Achyranthes bidentata	Medicinal Plant
BXGF03608	Achyranthes japonica	Achyranthes japonica	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}