acompound

Showing entry for Ecdysterone

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0053533
Compound Name	Ecdysterone
Structure
Formula	C27H44O7
InchiKey	NKDFYOWSKOHCCO-JWWMQFFDSA-N
SMILES	O[C@H]1C[C@@]2(C)[C@@H](C[C@H]1O)C(=O)C=C1C2CC[C@]2([C@@]1(O)CCC2[C@]([C@@H](CCC(O)(C)C)O)(O)C)C
Inchi	InChI=1S/C27H44O7/c1-23(2,32)9-8-22(31)26(5,33)21-7-11-27(34)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17,19-22,29-34H,6-11,13-14H2,1-5H3/t15?,17-,19+,20-,21?,22+,24+,25+,26+,27+/m0/s1
IUPAC	(2S,3R,5R,10R,13R,14S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-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	44143979
Chembl Id	CHEMBL1707235

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
Q9UNA4	BXGT021785	DNA polymerase iota	reviewed	-	POLI	Potency	-	10000	nM
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	1032	nM
Q96QE3	BXGT019718	ATPase family AAA domain-containing protein 5	reviewed	-	ATAD5	Potency	-	29081	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00514	Ostrich fern	Matteuccia struthiopteris	Vegetables
BXGF01515	Polypodium vulgare	Polypodium vulgare	Medicinal Plant
BXGF01538	Pteridium aquilinum	Pteridium aquilinum	Medicinal Plant
BXGF01771	Achyranthes fauriei	Achyranthes fauriei	Medicinal Plant
BXGF01960	Achyranthes bidentata	Achyranthes bidentata	Medicinal Plant
BXGF02489	Ajuga decumbens	Ajuga decumbens	Medicinal Plant
BXGF03011	Lepisorus thunbergianus	Lepisorus thunbergianus	Medicinal Plant
BXGF03141	Achyranthes aspera	Achyranthes aspera	Medicinal Plant
BXGF03520	Echinops setifer	Echinops setifer	Medicinal Plant
BXGF03608	Achyranthes japonica	Achyranthes japonica	Medicinal Plant
BXGF03896	Taxus cuspidata	Taxus cuspidata	Medicinal Plant
BXGF04427	Silene banksia	Silene banksia	Others
BXGF04436	Podocarpus macrophyllus	Podocarpus macrophyllus	Medicinal Plant
BXGF04607	Morus alba	Morus alba	Medicinal Plant
BXGF04715	Rhaponticum uniflorum	Rhaponticum uniflorum	Medicinal Plant
BXGF05230	Echinopsis latifolius	Echinopsis latifolius	Others
BXGF06273	Parablechnum minus	Parablechnum minus	Others
BXGF06279	Dacrycarpus imbricatus	Dacrycarpus imbricatus	Others

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}