acompound

Showing entry for Ponasterone A

General Compound Information
BXGC Id	BXGC0022186
Compound Name	Ponasterone A
Structure
Formula	C27H44O6
InchiKey	PJYYBCXMCWDUAZ-JJJZTNILSA-N
SMILES	CC(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/C27H44O6/c1-15(2)6-7-23(31)26(5,32)22-9-11-27(33)17-12-19(28)18-13-20(29)21(30)14-24(18,3)16(17)8-10-25(22,27)4/h12,15-16,18,20-23,29-33H,6-11,13-14H2,1-5H3/t16-,18-,20+,21-,22-,23+,24+,25+,26+,27+/m0/s1
IUPAC	(2S,3R,5R,9R,10R,13R,14S,17S)-17-[(2R,3R)-2,3-dihydroxy-6-methylheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
Molecular Weight	464.31
Pubchem Id	115127
Chembl Id	CHEMBL549789

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

P1A

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	-	-	-	-	-
A1JUG3	BXGT001015	Ecdysone receptor (Isoform A)	unreviewed	ecr-a	-	-	-	-	-
E0VVT4	BXGT003058	Ecdysone receptor, putative	unreviewed	8238728	-	-	-	-	-

Binding DB

50326776

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	BXGT004203	Ecdysone receptor	reviewed		EcR	-	900	-	-
reviewed	BXGT009746	Ecdysone receptor	reviewed		EcR	-	1.29	-	-

CHEMBL

CHEMBL549789

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	'='	1	nM
P49881	BXGT010753	Ecdysone receptor	reviewed	-	EcR	FC	'='	26	-
P49881	BXGT010753	Ecdysone receptor	reviewed	-	EcR	FC	'='	6	-
O18531	BXGT004203	Ecdysone receptor	reviewed	-	EcR	IC50	'='	900	nM
P49881	BXGT010753	Ecdysone receptor	reviewed	-	EcR	FC	'='	44	-
P49881	BXGT010753	Ecdysone receptor	reviewed	-	EcR	FC	'='	18	-
P49881	BXGT010753	Ecdysone receptor	reviewed	-	EcR	FC	'='	55	-
P08183	BXGT006741	ATP-dependent translocase ABCB1	reviewed	Transporter	ABCB1	FICI	'='	0	-
E5L6Y0	BXGT003128	Ultraspiracle	unreviewed	-	USP	IC50	'='	280	nM
E5L6Y1	BXGT003129	Ecdysone receptor isoform A	unreviewed	-		IC50	'='	280	nM
E5L6Y0	BXGT003128	Ultraspiracle	unreviewed	-	USP	Ki	'='	200	nM
E5L6Y1	BXGT003129	Ecdysone receptor isoform A	unreviewed	-		Ki	'='	200	nM
P49881	BXGT010753	Ecdysone receptor	reviewed	-	EcR	FC	'='	19	-
P08183	BXGT006741	ATP-dependent translocase ABCB1	reviewed	Transporter	ABCB1	Ratio	'='	1	-
E5L6Y0	BXGT003128	Ultraspiracle	unreviewed	-	USP	IC50	'='	250	nM
E5L6Y1	BXGT003129	Ecdysone receptor isoform A	unreviewed	-		IC50	'='	250	nM
P08183	BXGT006741	ATP-dependent translocase ABCB1	reviewed	Transporter	ABCB1	FICI	'='	1	-
P08183	BXGT006741	ATP-dependent translocase ABCB1	reviewed	Transporter	ABCB1	FICI	'='	0	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01009	Dipsacus asper	Dipsacus asper	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
BXGF01371	Eriostemon spicatus	Eriostemon spicatus	Others
BXGF01402	Phalaris canariensis	Phalaris canariensis	Medicinal Plant
BXGF01405	Eriosema chinense	Eriosema chinense	Medicinal Plant
BXGF01449	Sideritis hirsuta	Sideritis hirsuta	Others
BXGF01492	Jacaranda chelonia	Jacaranda chelonia	Others
BXGF01512	Payena lucida	Payena lucida	Medicinal Plant
BXGF01538	Pteridium aquilinum	Pteridium aquilinum	Medicinal Plant
BXGF01544	Crepidiastrum sonchifolium	Crepidiastrum sonchifolium	Others
BXGF01575	Ulva lactuca	Ulva lactuca	Medicinal Plant
BXGF01698	Acrostichum aureum	Acrostichum aureum	Medicinal Plant
BXGF01718	Gnaphalium oligandrum	Gnaphalium oligandrum	Others
BXGF01822	Ixeris denticulata	Ixeris denticulata	Medicinal Plant
BXGF02544	Attalea excelsa	Attalea excelsa	Others
BXGF04037	Plumbagella micrantha	Plumbagella micrantha	Medicinal Plant
BXGF04308	Rhododendron micranthum	Rhododendron micranthum	Medicinal Plant
BXGF04332	Wulfenia orientalis	Wulfenia orientalis	Others
BXGF04460	Tanacetum parthenifolium	Tanacetum parthenifolium	Others
BXGF04904	Samadera indica	Samadera indica	Medicinal Plant
BXGF05437	Strychnos cathayensis	Strychnos cathayensis	Others
BXGF05518	Hymenothrix wislizenii	Hymenothrix wislizenii	Others
BXGF05765	Anthocleista procera	Anthocleista procera	Others
BXGF05775	Trichocolea tomentella	Trichocolea tomentella	Others
BXGF05793	Greenwayodendron oliveri	Greenwayodendron oliveri	Others
BXGF05866	Garcinia pyrifera	Garcinia pyrifera	Others
BXGF05969	Woodwardia orientalis	Woodwardia orientalis	Medicinal Plant
BXGF06012	Ophryosporus floribundus	Ophryosporus floribundus	Others
BXGF06074	Artemisia lactiflora	Artemisia lactiflora	Medicinal Plant
BXGF06253	Myrtopsis sellingii	Myrtopsis sellingii	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}