acompound

Showing entry for 20-Hydroxyecdysone

General Compound Information
BXGC Id	BXGC0034674
Compound Name	20-Hydroxyecdysone
Structure
Formula	C27H44O7
InchiKey	NKDFYOWSKOHCCO-YPVLXUMRSA-N
SMILES	O[C@H]1C[C@@]2(C)[C@@H](C[C@H]1O)C(=O)C=C1[C@@H]2CC[C@]2([C@@]1(O)CC[C@@H]2[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,9R,10R,13R,14S,17S)-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	5459840
Chembl Id	CHEMBL224128

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

20E

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
O18473	BXGT004202	Ecdysone receptor	reviewed	EcR	-	-	-	-	-

Binding DB

50326777

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	BXGT006430	Cholinesterase	reviewed		BCHE	-	0.506	-	-
reviewed	BXGT004203	Ecdysone receptor	reviewed		EcR	-	5500	-	-
reviewed	BXGT009746	Ecdysone receptor	reviewed		EcR	-	45.71	-	-

CHEMBL

CHEMBL224128

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
E5L6Y0	BXGT003128	Ultraspiracle	unreviewed	-	USP	IC50	'='	3000	nM
E5L6Y1	BXGT003129	Ecdysone receptor isoform A	unreviewed	-		IC50	'='	3000	nM
Q9NPD5	BXGT021151	Solute carrier organic anion transporter family member 1B3	reviewed	Transporter	SLCO1B3	Inhibition	'='	127	%
O00167	BXGT003887	Eyes absent homolog 2	reviewed	-	EYA2	Potency	-	733271	nM
O18531	BXGT004203	Ecdysone receptor	reviewed	-	EcR	IC50	'='	5500	nM
P31750	BXGT009575	RAC-alpha serine/threonine-protein kinase	reviewed	-	Akt1	Activity	-	-	-
P34021	BXGT009746	Ecdysone receptor	reviewed	-	EcR	IC50	'='	45	nM
Q8MWR1	BXGT018488	Ultraspiracle protein	unreviewed	-	USP	IC50	'='	165	nM
Q8MWR2	BXGT018489	Ecdysteroid receptor	unreviewed	-	EcR	IC50	'='	165	nM
P06276	BXGT006430	Cholinesterase	reviewed	-	BCHE	IC50	'='	506	ug.mL-1
P08183	BXGT006741	ATP-dependent translocase ABCB1	reviewed	Transporter	ABCB1	FICI	'='	2	-
Q9UNA4	BXGT021785	DNA polymerase iota	reviewed	-	POLI	Potency	-	28183	nM
E5L6Y0	BXGT003128	Ultraspiracle	unreviewed	-	USP	Ki	'='	3000	nM
E5L6Y1	BXGT003129	Ecdysone receptor isoform A	unreviewed	-		Ki	'='	3000	nM
E5L6Y0	BXGT003128	Ultraspiracle	unreviewed	-	USP	IC50	'='	1047	nM
E5L6Y1	BXGT003129	Ecdysone receptor isoform A	unreviewed	-		IC50	'='	1047	nM
Q4W6C8	BXGT014902	Ultraspiracle	unreviewed	-	LdUSP	IC50	'='	436	nM
Q4W6D0	BXGT014903	Ecdysone receptor A isoform	unreviewed	-	LdEcR-A	IC50	'='	436	nM
P08183	BXGT006741	ATP-dependent translocase ABCB1	reviewed	Transporter	ABCB1	FICI	'='	2	-
E5L6Y0	BXGT003128	Ultraspiracle	unreviewed	-	USP	Ki	'='	2500	nM
E5L6Y1	BXGT003129	Ecdysone receptor isoform A	unreviewed	-		Ki	'='	2500	nM
P08183	BXGT006741	ATP-dependent translocase ABCB1	reviewed	Transporter	ABCB1	Ratio	'='	1	-
O00167	BXGT003887	Eyes absent homolog 2	reviewed	-	EYA2	Potency	-	17782	nM
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	1412	nM
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	Inhibition	'='	3	%
Q9Y6L6	BXGT022334	Solute carrier organic anion transporter family member 1B1	reviewed	Transporter	SLCO1B1	Inhibition	'='	114	%
P06276	BXGT006430	Cholinesterase	reviewed	-	BCHE	Inhibition	'='	71	%
P20153	BXGT008547	Protein ultraspiracle	reviewed	-	usp	IC50	'='	45	nM
P34021	BXGT009746	Ecdysone receptor	reviewed	-	EcR	IC50	'='	45	nM
E5L6Y0	BXGT003128	Ultraspiracle	unreviewed	-	USP	IC50	'='	4500	nM
E5L6Y1	BXGT003129	Ecdysone receptor isoform A	unreviewed	-		IC50	'='	4500	nM
P81908	BXGT011959	Cholinesterase	reviewed	-	BCHE	Inhibition	'='	-3	%
P08183	BXGT006741	ATP-dependent translocase ABCB1	reviewed	Transporter	ABCB1	FICI	'='	2	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00198	Adzuki bean	Vigna angularis	Pulses
BXGF00514	Ostrich fern	Matteuccia struthiopteris	Vegetables
BXGF00850	Tinospora capillipes	Tinospora capillipes	Others
BXGF01009	Dipsacus asper	Dipsacus asper	Others
BXGF01042	Silene fortunei	Silene fortunei	Others
BXGF01046	Coutarea latifolia	Coutarea latifolia	Others
BXGF01090	Rivina humilis	Rivina humilis	Medicinal Plant
BXGF01171	Duguetia calycina	Duguetia calycina	Human Edible Plant
BXGF01233	Citrus hassaku	Citrus hassaku	Others
BXGF01364	Vinca minor	Vinca minor	Human Edible Plant
BXGF01371	Eriostemon spicatus	Eriostemon spicatus	Others
BXGF01402	Phalaris canariensis	Phalaris canariensis	Medicinal Plant
BXGF01405	Eriosema chinense	Eriosema chinense	Medicinal Plant
BXGF01492	Jacaranda chelonia	Jacaranda chelonia	Others
BXGF01512	Payena lucida	Payena lucida	Medicinal Plant
BXGF01515	Polypodium vulgare	Polypodium vulgare	Medicinal Plant
BXGF01538	Pteridium aquilinum	Pteridium aquilinum	Medicinal Plant
BXGF01544	Crepidiastrum sonchifolium	Crepidiastrum sonchifolium	Others
BXGF01771	Achyranthes fauriei	Achyranthes fauriei	Medicinal Plant
BXGF01960	Achyranthes bidentata	Achyranthes bidentata	Medicinal Plant
BXGF02544	Attalea excelsa	Attalea excelsa	Others
BXGF03063	Gentiana straminea	Gentiana straminea	Medicinal Plant
BXGF03516	Gentiana macrophylla	Gentiana macrophylla	Medicinal Plant
BXGF03520	Echinops setifer	Echinops setifer	Medicinal Plant
BXGF03608	Achyranthes japonica	Achyranthes japonica	Medicinal Plant
BXGF03711	Styrax formosanus	Styrax formosanus	Others
BXGF04037	Plumbagella micrantha	Plumbagella micrantha	Medicinal Plant
BXGF04085	Paratinospora sagittata	Paratinospora sagittata	Others
BXGF04308	Rhododendron micranthum	Rhododendron micranthum	Medicinal Plant
BXGF04357	Gentiana dahurica	Gentiana dahurica	Medicinal Plant
BXGF04426	Daiswa polyphylla	Daiswa polyphylla	Medicinal Plant
BXGF04427	Silene banksia	Silene banksia	Others
BXGF04460	Tanacetum parthenifolium	Tanacetum parthenifolium	Others
BXGF04527	Geranium thunbergii	Geranium thunbergii	Medicinal Plant
BXGF04715	Rhaponticum uniflorum	Rhaponticum uniflorum	Medicinal Plant
BXGF04904	Samadera indica	Samadera indica	Medicinal Plant
BXGF05124	Gentiana crassicaulis	Gentiana crassicaulis	Medicinal Plant
BXGF05230	Echinopsis latifolius	Echinopsis latifolius	Others
BXGF05437	Strychnos cathayensis	Strychnos cathayensis	Others
BXGF05518	Hymenothrix wislizenii	Hymenothrix wislizenii	Others
BXGF05756	Cistanche tubulosa	Cistanche tubulosa	Medicinal Plant
BXGF05775	Trichocolea tomentella	Trichocolea tomentella	Others
BXGF05793	Greenwayodendron oliveri	Greenwayodendron oliveri	Others
BXGF05866	Garcinia pyrifera	Garcinia pyrifera	Others
BXGF05895	Commiphora myrrha	Commiphora myrrha	Medicinal Plant
BXGF05969	Woodwardia orientalis	Woodwardia orientalis	Medicinal Plant
BXGF05998	Vaccaria hispanica	Vaccaria hispanica	Medicinal Plant
BXGF06012	Ophryosporus floribundus	Ophryosporus floribundus	Others
BXGF06074	Artemisia lactiflora	Artemisia lactiflora	Medicinal Plant
BXGF06253	Myrtopsis sellingii	Myrtopsis sellingii	Others
BXGF06273	Parablechnum minus	Parablechnum minus	Others
BXGF06295	Catalpa ovata	Catalpa ovata	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}