acompound

Showing entry for Gitoxigenin

General Compound Information
BXGC Id	BXGC0029148
Compound Name	Gitoxigenin
Structure
Formula	C23H34O5
InchiKey	PVAMXWLZJKTXFW-VQMOFDJESA-N
SMILES	O[C@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@]1(O)C[C@@H]([C@@H]2C1=CC(=O)OC1)O)C)C
Inchi	InChI=1S/C23H34O5/c1-21-7-5-15(24)10-14(21)3-4-17-16(21)6-8-22(2)20(13-9-19(26)28-12-13)18(25)11-23(17,22)27/h9,14-18,20,24-25,27H,3-8,10-12H2,1-2H3/t14-,15+,16+,17-,18+,20+,21+,22-,23+/m1/s1
IUPAC	3-[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-3,14,16-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Molecular Weight	390.24
Pubchem Id	348482
Chembl Id	CHEMBL464658

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

225705

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	BXGT020668	Uncharacterized PhzA/B-like protein PA3332	reviewed		PA3332	-	-	3250	-

CHEMBL

CHEMBL464658

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
P81908	BXGT011959	Cholinesterase	reviewed	-	BCHE	Inhibition	'='	1	%
Q96QE3	BXGT019718	ATPase family AAA domain-containing protein 5	reviewed	-	ATAD5	Potency	-	2058	nM
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	2909	nM
Q99700	BXGT019949	Ataxin-2	reviewed	Nucleic acid binding	ATXN2	Potency	-	2238	nM
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	29092	nM
P51151	BXGT010837	Ras-related protein Rab-9A	reviewed	-	RAB9A	Potency	'='	5011	nM
Q16236	BXGT013624	Nuclear factor erythroid 2-related factor 2	reviewed	Enzyme	NFE2L2	Potency	-	1835	nM
P43220	BXGT010367	Glucagon-like peptide 1 receptor	reviewed	G-protein coupled receptor	GLP1R	Potency	-	5011	nM
Q16236	BXGT013624	Nuclear factor erythroid 2-related factor 2	reviewed	Enzyme	NFE2L2	Potency	-	1636	nM
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	Inhibition	'='	-1	%
O75874	BXGT005157	Isocitrate dehydrogenase [NADP] cytoplasmic	reviewed	-	IDH1	Potency	-	5804	nM
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	2059	nM
O75874	BXGT005157	Isocitrate dehydrogenase [NADP] cytoplasmic	reviewed	-	IDH1	Potency	-	4610	nM
Q99700	BXGT019949	Ataxin-2	reviewed	Nucleic acid binding	ATXN2	Potency	-	2377	nM
P84022	BXGT012027	Mothers against decapentaplegic homolog 3	reviewed	Transcription factor	SMAD3	Potency	-	11220	nM
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	23109	nM
P11473	BXGT007709	Vitamin D3 receptor	reviewed	Nuclear receptor	VDR	Potency	-	79432	nM
P84022	BXGT012027	Mothers against decapentaplegic homolog 3	reviewed	Transcription factor	SMAD3	Potency	-	10000	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	5173	nM
P16473	BXGT008234	Thyrotropin receptor	reviewed	G-protein coupled receptor	TSHR	Potency	-	1345	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	12995	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00855	Nerium oleander	Nerium oleander	Medicinal Plant
BXGF01513	Rhododendron farrerae	Rhododendron farrerae	Others
BXGF01536	Veronica pectinata	Veronica pectinata	Others
BXGF01592	Plantago lanceolata	Plantago lanceolata	Medicinal Plant
BXGF01754	Cryptotaenia japonica	Cryptotaenia japonica	Medicinal Plant
BXGF02073	Tripodanthus acutifolius	Tripodanthus acutifolius	Medicinal Plant
BXGF02177	Croton rhamnifolius	Croton rhamnifolius	Others
BXGF03025	Scutellaria seleriana	Scutellaria seleriana	Others
BXGF03429	Digitalis lanata	Digitalis lanata	Medicinal Plant
BXGF03643	Cytisus scoparius	Cytisus scoparius	Medicinal Plant
BXGF03680	Aconitum brevicalcaratum	Aconitum brevicalcaratum	Others
BXGF03866	Toxicodendron succedaneum	Toxicodendron succedaneum	Medicinal Plant
BXGF03972	Crinum kirkii	Crinum kirkii	Medicinal Plant
BXGF04199	Isodon japonicus	Isodon japonicus	Medicinal Plant
BXGF04424	Hypericum triquetrifolium	Hypericum triquetrifolium	Medicinal Plant
BXGF05006	Ammodendron conollyi	Ammodendron conollyi	Others
BXGF05105	Cirsium dipsacolepis	Cirsium dipsacolepis	Medicinal Plant
BXGF05132	Mesembryanthemum anatomicum	Mesembryanthemum anatomicum	Medicinal Plant
BXGF05180	Malva sylvestris	Malva sylvestris	Medicinal Plant
BXGF05246	Viguiera annua	Viguiera annua	Others
BXGF05276	Digitalis purpurea	Digitalis purpurea	Medicinal Plant
BXGF05568	Eria subsessilis	Eria subsessilis	Others
BXGF05603	Angelica archangelica	Angelica archangelica	Medicinal Plant
BXGF05635	Cocculus diversifolius	Cocculus diversifolius	Others
BXGF05664	Myrica multiflora	Myrica multiflora	Medicinal Plant
BXGF05716	Trifolium apertum	Trifolium apertum	Others
BXGF05757	Solanum racemigerum	Solanum racemigerum	Others
BXGF05789	Teucrium pestalozzae	Teucrium pestalozzae	Others
BXGF06028	Knightia deplanchei	Knightia deplanchei	Others
BXGF06104	Ptilidium ciliare	Ptilidium ciliare	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}