acompound

Showing entry for Castanin

General Compound Information
BXGC Id	BXGC0015351
Compound Name	Castanin
Structure
Formula	C17H14O5
InchiKey	KJGPBYUQZLUKLL-UHFFFAOYSA-N
SMILES	COc1ccc(cc1)c1coc2c(c1=O)cc(c(c2)O)OC
Inchi	InChI=1S/C17H14O5/c1-20-11-5-3-10(4-6-11)13-9-22-15-8-14(18)16(21-2)7-12(15)17(13)19/h3-9,18H,1-2H3
IUPAC	7-hydroxy-6-methoxy-3-(4-methoxyphenyl)chromen-4-one
Molecular Weight	298.08
Pubchem Id	5281704
Chembl Id	CHEMBL464404

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

50241529

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	BXGT010752	Kallikrein-7	reviewed	Enzyme	KLK7	-	-	-	8998
reviewed	BXGT008777	Glyceraldehyde-3-phosphate dehydrogenase, glycosomal	reviewed		-	-	84000	-	-

CHEMBL

CHEMBL464404

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
P51151	BXGT010837	Ras-related protein Rab-9A	reviewed	-	RAB9A	Potency	'='	5623	nM
P04637	BXGT006243	Cellular tumor antigen p53	reviewed	Transcription factor	TP53	Potency	-	11220	nM
Q96QE3	BXGT019718	ATPase family AAA domain-containing protein 5	reviewed	-	ATAD5	Potency	-	14575	nM
P22513	BXGT008777	Glyceraldehyde-3-phosphate dehydrogenase, glycosomal	reviewed	-		IC50	'='	84000	nM
P08659	BXGT006805	Luciferin 4-monooxygenase	reviewed	-		Potency	-	11220	nM
P49862	BXGT010752	Kallikrein-7	reviewed	Enzyme	KLK7	EC50	'='	8998	nM
O89049	BXGT005293	Thioredoxin reductase 1, cytoplasmic	reviewed	-	Txnrd1	Potency	-	89125	nM
P38398	BXGT010037	Breast cancer type 1 susceptibility protein	reviewed	Enzyme	BRCA1	Potency	-	35481	nM
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	4109	nM
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	Inhibition	'<'	50	%
O75874	BXGT005157	Isocitrate dehydrogenase [NADP] cytoplasmic	reviewed	-	IDH1	Potency	-	32642	nM
P17405	BXGT008304	Sphingomyelin phosphodiesterase	reviewed	Enzyme	SMPD1	Potency	-	25118	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00022	Oat	Avena sativa	Cereals and cereal products
BXGF00916	Erythrina speciosa	Erythrina speciosa	Others
BXGF00978	Prunus prostrata	Prunus prostrata	Medicinal Plant
BXGF01314	Thalictrum flavum	Thalictrum flavum	Medicinal Plant
BXGF01563	Echinops transiliensis	Echinops transiliensis	Others
BXGF01914	Lantana montevidensis	Lantana montevidensis	Human Edible Plant
BXGF01996	Senecio suaveolens	Senecio suaveolens	Others
BXGF02026	Olearia pimeleoides	Olearia pimeleoides	Others
BXGF02056	Muscari botryoides	Muscari botryoides	Medicinal Plant
BXGF02084	Dasycladus vermicularis	Dasycladus vermicularis	Others
BXGF02103	Astragalus mongholicus	Astragalus mongholicus	Medicinal Plant
BXGF02131	Glycyrrhiza	Glycyrrhiza	Medicinal Plant
BXGF02257	Teclea gerrardii	Teclea gerrardii	Medicinal Plant
BXGF02332	Salvia castanea	Salvia castanea	Medicinal Plant
BXGF02368	Amorpha fruticosa	Amorpha fruticosa	Medicinal Plant
BXGF02523	Andira inermis	Andira inermis	Medicinal Plant
BXGF02560	Richteria pyrethroides	Richteria pyrethroides	Others
BXGF03070	Callerya cinerea	Callerya cinerea	Human Edible Plant
BXGF03116	Dalbergia frutescens	Dalbergia frutescens	Others
BXGF03163	Wisteria brachybotrys	Wisteria brachybotrys	Human Edible Plant
BXGF03605	Stellaria holostea	Stellaria holostea	Human Edible Plant
BXGF03901	Astragalus membranaceus	Astragalus membranaceus	Medicinal Plant
BXGF04062	Spatholobus suberectus	Spatholobus suberectus	Medicinal Plant
BXGF04099	Piper divaricatum	Piper divaricatum	Others
BXGF04110	Helichrysum drakensbergense	Helichrysum drakensbergense	Others
BXGF04167	Santolina pectinata	Santolina pectinata	Others
BXGF04185	Prosopis africana	Prosopis africana	Medicinal Plant
BXGF04263	Glycine soja	Glycine soja	Medicinal Plant
BXGF04301	Dorstenia dinklagei	Dorstenia dinklagei	Others
BXGF04328	Croton zehntneri	Croton zehntneri	Others
BXGF04364	Commiphora sphaerocarpa	Commiphora sphaerocarpa	Others
BXGF04374	Satureja vulgaris	Satureja vulgaris	Others
BXGF04772	Sapium haematospermum	Sapium haematospermum	Medicinal Plant
BXGF05241	Dalbergia assamica	Dalbergia assamica	Others
BXGF06023	Hedysarum theinum	Hedysarum theinum	Others
BXGF06157	Haemanthus amarylloides	Haemanthus amarylloides	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}