acompound

Showing entry for Daphnetin

General Compound Information
BXGC Id	BXGC0001940
Compound Name	Daphnetin
Structure
Formula	C9H6O4
InchiKey	ATEFPOUAMCWAQS-UHFFFAOYSA-N
SMILES	OC1=C(O)C2=C(C=CC(=O)O2)C=C1
Inchi	InChI=1S/C9H6O4/c10-6-3-1-5-2-4-7(11)13-9(5)8(6)12/h1-4,10,12H
IUPAC	7,8-dihydroxy-2H-chromen-2-one
Molecular Weight	178.14
Pubchem Id	5280569
Chembl Id	CHEMBL244948

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

50206006

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	BXGT010602	Xanthine dehydrogenase/oxidase	reviewed	Enzyme	XDH	-	390000	-	-
reviewed	BXGT011042	Autoinducer 2-binding periplasmic protein LuxP	reviewed		luxP	-	12000	-	-
reviewed	BXGT005575	Epidermal growth factor receptor	reviewed	Kinase	EGFR	-	7670	-	-
reviewed	BXGT008837	Prostaglandin G/H synthase 1	reviewed	Enzyme	PTGS1	-	140000	-	-

CHEMBL

CHEMBL244948

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
Q9UBT6	BXGT021664	DNA polymerase kappa	reviewed	-	POLK	Potency	-	9466	nM
P06746	BXGT006496	DNA polymerase beta	reviewed	Enzyme	POLB	Potency	'='	14125	nM
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	AC50	'='	12589	nM
P27695	BXGT009199	DNA-(apurinic or apyrimidinic site) lyase	reviewed	-	APEX1	Potency	-	12589	nM
Q9Y6M4	BXGT022335	Casein kinase I isoform gamma-3	reviewed	Kinase	CSNK1G3	Thermal melting change	'='	0	degrees C
P0A6C1	BXGT007045	Endonuclease 4	reviewed	-	nfo	Potency	'='	22387	nM
Q99549	BXGT019932	M-phase phosphoprotein 8	reviewed	Epigenetic regulator	MPHOSPH8	Potency	-	79432	nM
P11021	BXGT007644	Endoplasmic reticulum chaperone BiP	reviewed	-	HSPA5	Potency	-	41399	nM
P10636	BXGT007596	Microtubule-associated protein tau	reviewed	-	MAPT	Potency	'='	39810	nM
Q27686	BXGT013930	Pyruvate kinase	reviewed	-	PYK	Potency	'='	15848	nM
P16050	BXGT008184	Arachidonate 15-lipoxygenase	reviewed	Enzyme	ALOX15	Potency	'='	25118	nM
P10828	BXGT007624	Thyroid hormone receptor beta	reviewed	Nuclear receptor	THRB	Potency	'='	2818	nM
P47989	BXGT010602	Xanthine dehydrogenase/oxidase	reviewed	Enzyme	XDH	IC50	'='	390000	nM
Q92830	BXGT019379	Histone acetyltransferase KAT2A	reviewed	-	KAT2A	Potency	-	39810	nM
P97697	BXGT012214	Inositol monophosphatase 1	reviewed	-	Impa1	Potency	'='	28183	nM
O89049	BXGT005293	Thioredoxin reductase 1, cytoplasmic	reviewed	-	Txnrd1	Potency	-	37685	nM
Q96KQ7	BXGT019687	Histone-lysine N-methyltransferase EHMT2	reviewed	Epigenetic regulator	EHMT2	Potency	-	843	nM
P54300	BXGT011042	Autoinducer 2-binding periplasmic protein LuxP	reviewed	-	luxP	IC50	'='	12000	nM
Q9Y253	BXGT022216	DNA polymerase eta	reviewed	-	POLH	Potency	-	22387	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	'='	35481	nM
Q96NX5	BXGT019702	Calcium/calmodulin-dependent protein kinase type 1G	reviewed	Kinase	CAMK1G	Thermal melting change	'='	0	degrees C
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	Potency	'='	12589	nM
P40225	BXGT010168	Thrombopoietin	reviewed	-	THPO	Potency	'='	12589	nM
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	23109	nM
O97447	BXGT005436	Putative fructose-1,6-bisphosphate aldolase	unreviewed	-	ald	Potency	'='	9976	nM
P00352	BXGT005510	Retinal dehydrogenase 1	reviewed	Enzyme	ALDH1A1	Potency	'='	17782	nM
Q86Y07	BXGT017631	Serine/threonine-protein kinase VRK2	reviewed	Kinase	VRK2	Thermal melting change	'='	0	degrees C
P10635	BXGT007595	Cytochrome P450 2D6	reviewed	-	CYP2D6	AC50	-	-	-
Q99714	BXGT019954	3-hydroxyacyl-CoA dehydrogenase type-2	reviewed	Enzyme	HSD17B10	Potency	'='	10000	nM
P02545	BXGT005889	Prelamin-A/C	reviewed	-	LMNA	Potency	'='	25118	nM
P23219	BXGT008837	Prostaglandin G/H synthase 1	reviewed	Enzyme	PTGS1	IC50	'='	140000	nM
Q9HCP0	BXGT020536	Casein kinase I isoform gamma-1	reviewed	Kinase	CSNK1G1	Thermal melting change	'='	0	degrees C
Q9P286	BXGT021299	Serine/threonine-protein kinase PAK 5	reviewed	Kinase	PAK5	Thermal melting change	'='	0	degrees C
O94804	BXGT005334	Serine/threonine-protein kinase 10	reviewed	Kinase	STK10	Thermal melting change	'='	0	degrees C
P27695	BXGT009199	DNA-(apurinic or apyrimidinic site) lyase	reviewed	-	APEX1	Potency	'='	17782	nM
Q16566	BXGT013639	Calcium/calmodulin-dependent protein kinase type IV	reviewed	Kinase	CAMK4	Thermal melting change	'='	0	degrees C
Q9UNA4	BXGT021785	DNA polymerase iota	reviewed	-	POLI	Potency	-	23778	nM
Q99549	BXGT019932	M-phase phosphoprotein 8	reviewed	Epigenetic regulator	MPHOSPH8	Potency	-	21192	nM
P00533	BXGT005575	Epidermal growth factor receptor	reviewed	Kinase	EGFR	IC50	'='	7670	nM
P10635	BXGT007595	Cytochrome P450 2D6	reviewed	-	CYP2D6	Potency	'='	7943	nM
B2RXH2	BXGT002006	Lysine-specific demethylase 4E	reviewed	-	KDM4E	Potency	'='	7079	nM
P11712	BXGT007738	Cytochrome P450 2C9	reviewed	-	CYP2C9	AC50	-	-	-
Q6W5P4	BXGT016588	Neuropeptide S receptor	reviewed	-	NPSR1	Potency	'='	25118	nM
P15428	BXGT008121	15-hydroxyprostaglandin dehydrogenase [NAD(+)]	reviewed	-	HPGD	Potency	'='	14125	nM
O00506	BXGT003932	Serine/threonine-protein kinase 25	reviewed	Kinase	STK25	Thermal melting change	'='	0	degrees C
Q96RR4	BXGT019734	Calcium/calmodulin-dependent protein kinase kinase 2	reviewed	Kinase	CAMKK2	Thermal melting change	'='	0	degrees C
P10636	BXGT007596	Microtubule-associated protein tau	reviewed	-	MAPT	Potency	'='	28183	nM
Q96KQ7	BXGT019687	Histone-lysine N-methyltransferase EHMT2	reviewed	Epigenetic regulator	EHMT2	Potency	-	891	nM
P21728	BXGT008686	D(1A) dopamine receptor	reviewed	G-protein coupled receptor	DRD1	Potency	-	1032	nM
P49798	BXGT010745	Regulator of G-protein signaling 4	reviewed	Enzyme modulator	RGS4	Potency	-	18887	nM
Q9Y6L6	BXGT022334	Solute carrier organic anion transporter family member 1B1	reviewed	Transporter	SLCO1B1	Inhibition	'='	66	%
P07378	BXGT006616	Phosphoglycerate kinase, glycosomal	reviewed	-		Potency	-	13459	nM
Q96QE3	BXGT019718	ATPase family AAA domain-containing protein 5	reviewed	-	ATAD5	Potency	-	6510	nM
P39748	BXGT010134	Flap endonuclease 1	reviewed	Enzyme	FEN1	Potency	-	9466	nM
Q16637	BXGT013646	Survival motor neuron protein	reviewed	Epigenetic regulator	SMN1	Potency	'='	14125	nM
P11166	BXGT007661	Solute carrier family 2, facilitated glucose transporter member 1	reviewed	Transporter	SLC2A1	Inhibition	'='	7	%
O75716	BXGT005147	Serine/threonine-protein kinase 16	reviewed	Kinase	STK16	Thermal melting change	'='	0	degrees C
P23458	BXGT008868	Tyrosine-protein kinase JAK1	reviewed	Kinase	JAK1	Thermal melting change	'='	0	degrees C
P11309	BXGT007685	Serine/threonine-protein kinase pim-1	reviewed	Kinase	PIM1	Thermal melting change	'='	0	degrees C
Q9P1W9	BXGT021296	Serine/threonine-protein kinase pim-2	reviewed	Kinase	PIM2	Thermal melting change	'='	0	degrees C
Q86V86	BXGT017617	Serine/threonine-protein kinase pim-3	reviewed	-	PIM3	Thermal melting change	'='	0	degrees C
Q16659	BXGT013652	Mitogen-activated protein kinase 6	reviewed	Kinase	MAPK6	Thermal melting change	'='	0	degrees C
P33261	BXGT009707	Cytochrome P450 2C19	reviewed	-	CYP2C19	AC50	-	-	-
P11021	BXGT007644	Endoplasmic reticulum chaperone BiP	reviewed	-	HSPA5	Potency	-	23280	nM
P27361	BXGT009176	Mitogen-activated protein kinase 3	reviewed	Kinase	MAPK3	Thermal melting change	'='	0	degrees C
P17612	BXGT008322	cAMP-dependent protein kinase catalytic subunit alpha	reviewed	Kinase	PRKACA	Thermal melting change	'='	0	degrees C
P39748	BXGT010134	Flap endonuclease 1	reviewed	Enzyme	FEN1	Potency	-	7519	nM
P83916	BXGT012025	Chromobox protein homolog 1	reviewed	Epigenetic regulator	CBX1	Potency	-	50118	nM
Q13951	BXGT013407	Core-binding factor subunit beta	reviewed	-	CBFB	Potency	-	8912	nM
Q01196	BXGT012575	Runt-related transcription factor 1	reviewed	Transcription factor	RUNX1	Potency	-	8912	nM
P24941	BXGT009002	Cyclin-dependent kinase 2	reviewed	Kinase	CDK2	Thermal melting change	'='	0	degrees C
O43293	BXGT004584	Death-associated protein kinase 3	reviewed	Kinase	DAPK3	Thermal melting change	'='	0	degrees C
O95747	BXGT005393	Serine/threonine-protein kinase OSR1	reviewed	Kinase	OXSR1	Thermal melting change	'='	0	degrees C
O96013	BXGT005414	Serine/threonine-protein kinase PAK 4	reviewed	Kinase	PAK4	Thermal melting change	'='	0	degrees C
Q01453	BXGT012588	Peripheral myelin protein 22	reviewed	Cellular structure	PMP22	Potency	'='	53581	nM
O15648	BXGT004185	ATP-dependent 6-phosphofructokinase	reviewed	-	pfk	Potency	-	7568	nM
P05177	BXGT006336	Cytochrome P450 1A2	reviewed	Enzyme	CYP1A2	AC50	'='	15848	nM
O96017	BXGT005415	Serine/threonine-protein kinase Chk2	reviewed	Kinase	CHEK2	Thermal melting change	'='	0	degrees C
P49759	BXGT010734	Dual specificity protein kinase CLK1	reviewed	Kinase	CLK1	Thermal melting change	'='	0	degrees C
P49760	BXGT010735	Dual specificity protein kinase CLK2	reviewed	Kinase	CLK2	Thermal melting change	'='	0	degrees C
P49841	BXGT010750	Glycogen synthase kinase-3 beta	reviewed	Kinase	GSK3B	Thermal melting change	'='	0	degrees C
Q9P289	BXGT021300	Serine/threonine-protein kinase 26	reviewed	Kinase	STK26	Thermal melting change	'='	0	degrees C
P51812	BXGT010893	Ribosomal protein S6 kinase alpha-3	reviewed	Kinase	RPS6KA3	Thermal melting change	'='	0	degrees C
P54646	BXGT011062	5'-AMP-activated protein kinase catalytic subunit alpha-2	reviewed	Kinase	PRKAA2	Thermal melting change	'='	0	degrees C
Q00532	BXGT012532	Cyclin-dependent kinase-like 1	reviewed	Kinase	CDKL1	Thermal melting change	'='	0	degrees C
Q99683	BXGT019947	Mitogen-activated protein kinase kinase kinase 5	reviewed	Kinase	MAP3K5	Thermal melting change	'='	0	degrees C
Q15759	BXGT013595	Mitogen-activated protein kinase 11	reviewed	Kinase	MAPK11	Thermal melting change	'='	0	degrees C
Q13526	BXGT013369	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	reviewed	-	PIN1	Potency	-	21331	nM
Q9UKE5	BXGT021741	TRAF2 and NCK-interacting protein kinase	reviewed	Kinase	TNIK	Thermal melting change	'='	0	degrees C
Q9NPD5	BXGT021151	Solute carrier organic anion transporter family member 1B3	reviewed	Transporter	SLCO1B3	Inhibition	'='	94	%
P08482	BXGT006775	Muscarinic acetylcholine receptor M1	reviewed	-	Chrm1	Potency	'='	22387	nM
P49761	BXGT010736	Dual specificity protein kinase CLK3	reviewed	Kinase	CLK3	Thermal melting change	'='	0	degrees C
P36507	BXGT009923	Dual specificity mitogen-activated protein kinase kinase 2	reviewed	Kinase	MAP2K2	Thermal melting change	'='	0	degrees C
O00444	BXGT003921	Serine/threonine-protein kinase PLK4	reviewed	Kinase	PLK4	Thermal melting change	'='	0	degrees C
Q13555	BXGT013375	Calcium/calmodulin-dependent protein kinase type II subunit gamma	reviewed	Kinase	CAMK2G	Thermal melting change	'='	0	degrees C
Q8IU85	BXGT018333	Calcium/calmodulin-dependent protein kinase type 1D	reviewed	Kinase	CAMK1D	Thermal melting change	'='	0	degrees C
Q13557	BXGT013376	Calcium/calmodulin-dependent protein kinase type II subunit delta	reviewed	Kinase	CAMK2D	Thermal melting change	'='	0	degrees C
P53350	BXGT010984	Serine/threonine-protein kinase PLK1	reviewed	Kinase	PLK1	Thermal melting change	'='	0	degrees C
Q9H2G2	BXGT020452	STE20-like serine/threonine-protein kinase	reviewed	Kinase	SLK	Thermal melting change	'='	0	degrees C
Q15208	BXGT013550	Serine/threonine-protein kinase 38	reviewed	Kinase	STK38	Thermal melting change	'='	0	degrees C
Q13554	BXGT013374	Calcium/calmodulin-dependent protein kinase type II subunit beta	reviewed	Kinase	CAMK2B	Thermal melting change	'='	0	degrees C
Q9NQU5	BXGT021169	Serine/threonine-protein kinase PAK 6	reviewed	-	PAK6	Thermal melting change	'='	0	degrees C
Q9UQM7	BXGT021814	Calcium/calmodulin-dependent protein kinase type II subunit alpha	reviewed	Kinase	CAMK2A	Thermal melting change	'='	0	degrees C
Q00534	BXGT012533	Cyclin-dependent kinase 6	reviewed	Kinase	CDK6	Thermal melting change	'='	0	degrees C
Q96KB5	BXGT019685	Lymphokine-activated killer T-cell-originated protein kinase	reviewed	Kinase	PBK	Thermal melting change	'='	0	degrees C
Q99714	BXGT019954	3-hydroxyacyl-CoA dehydrogenase type-2	reviewed	Enzyme	HSD17B10	Potency	'='	31622	nM
Q8IV63	BXGT018341	Inactive serine/threonine-protein kinase VRK3	reviewed	Kinase	VRK3	Thermal melting change	'='	0	degrees C
O15530	BXGT004177	3-phosphoinositide-dependent protein kinase 1	reviewed	Kinase	PDPK1	Thermal melting change	'='	0	degrees C
Q9P289	BXGT021300	Serine/threonine-protein kinase 26	reviewed	Kinase	STK26	Thermal melting change	'='	0	degrees C
P52564	BXGT010932	Dual specificity mitogen-activated protein kinase kinase 6	reviewed	Kinase	MAP2K6	Thermal melting change	'='	0	degrees C
Q13043	BXGT013307	Serine/threonine-protein kinase 4	reviewed	Kinase	STK4	Thermal melting change	'='	0	degrees C
Q09013	BXGT013023	Myotonin-protein kinase	reviewed	Kinase	DMPK	Thermal melting change	'='	0	degrees C
Q00536	BXGT012535	Cyclin-dependent kinase 16	reviewed	Kinase	CDK16	Thermal melting change	'='	0	degrees C
Q9BVS4	BXGT020147	Serine/threonine-protein kinase RIO2	reviewed	Kinase	RIOK2	Thermal melting change	'='	0	degrees C
P51812	BXGT010893	Ribosomal protein S6 kinase alpha-3	reviewed	Kinase	RPS6KA3	Thermal melting change	'='	0	degrees C
Q9UEE5	BXGT021671	Serine/threonine-protein kinase 17A	reviewed	Kinase	STK17A	Thermal melting change	'='	0	degrees C
O61059	BXGT004913	Glucose transporter	unreviewed	-	LmGT2	Inhibition	'='	4	%
Q99986	BXGT019980	Serine/threonine-protein kinase VRK1	reviewed	Kinase	VRK1	Thermal melting change	'='	0	degrees C
P51955	BXGT010908	Serine/threonine-protein kinase Nek2	reviewed	Kinase	NEK2	Thermal melting change	'='	0	degrees C
Q9HC98	BXGT020528	Serine/threonine-protein kinase Nek6	reviewed	Kinase	NEK6	Thermal melting change	'='	0	degrees C
O97467	BXGT005437	Hexose transporter 1	unreviewed	-	ht1	Inhibition	'='	5	%
P78368	BXGT011840	Casein kinase I isoform gamma-2	reviewed	Kinase	CSNK1G2	Thermal melting change	'='	0	degrees C
O15296	BXGT004148	Arachidonate 15-lipoxygenase B	reviewed	Enzyme	ALOX15B	Potency	-	7943	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00047	Chickpea	Cicer arietinum	Pulses
BXGF00052	Watermelon	Citrullus lanatus	Gourds
BXGF00849	Thymus transcaucasicus	Thymus transcaucasicus	Others
BXGF00860	Bruguiera cylindrica	Bruguiera cylindrica	Medicinal Plant
BXGF00983	Marshallia graminifolia	Marshallia graminifolia	Others
BXGF00988	Plantago uniflora	Plantago uniflora	Others
BXGF01015	Acer caudatifolium	Acer caudatifolium	Others
BXGF01027	Kalanchoe marmorata	Kalanchoe marmorata	Others
BXGF01143	Coussarea paniculata	Coussarea paniculata	Others
BXGF01359	Daphne feddei	Daphne feddei	Others
BXGF01366	Baccharis macraei	Baccharis macraei	Others
BXGF01379	Astragalus sinicus	Astragalus sinicus	Medicinal Plant
BXGF01635	Nierembergia hippomanica	Nierembergia hippomanica	Medicinal Plant
BXGF01746	Salacia cordata	Salacia cordata	Human Edible Plant
BXGF01849	Aconitum heterophyllum	Aconitum heterophyllum	Medicinal Plant
BXGF02002	Vernonia megapotamica	Vernonia megapotamica	Others
BXGF02217	Euphorbia fischeriana	Euphorbia fischeriana	Medicinal Plant
BXGF02255	Serratula strangulata	Serratula strangulata	Medicinal Plant
BXGF02401	Mikania goyazensis	Mikania goyazensis	Others
BXGF02498	Cynoglossum formosanum	Cynoglossum formosanum	Others
BXGF02674	Eugenia sandwicensis	Eugenia sandwicensis	Medicinal Plant
BXGF02760	Lindera glauca	Lindera glauca	Medicinal Plant
BXGF02882	Chrysanthemum leptophyllum	Chrysanthemum leptophyllum	Others
BXGF02955	Oxytropis ochrocephala	Oxytropis ochrocephala	Others
BXGF03420	Ophioglossum petiolatum	Ophioglossum petiolatum	Others
BXGF03702	Solanum aculeatissimum	Solanum aculeatissimum	Medicinal Plant
BXGF03848	Hymenocallis speciosa	Hymenocallis speciosa	Others
BXGF03860	Machilus robusta	Machilus robusta	Others
BXGF03863	Oyedaea verbesinoides	Oyedaea verbesinoides	Others
BXGF03925	Hydrocotyle leucocephala	Hydrocotyle leucocephala	Others
BXGF03937	Pyrola calliantha	Pyrola calliantha	Medicinal Plant
BXGF03997	Lonchocarpus salvadorensis	Lonchocarpus salvadorensis	Others
BXGF04021	Solanum berthaultii	Solanum berthaultii	Medicinal Plant
BXGF04209	Chaenomeles sinensis	Chaenomeles sinensis	Medicinal Plant
BXGF04741	Astragalus zahlbruckneri	Astragalus zahlbruckneri	Others
BXGF04922	Euphorbia ebracteolata	Euphorbia ebracteolata	Medicinal Plant
BXGF05208	Daphne odora	Daphne odora	Medicinal Plant
BXGF05243	Thymus magnus	Thymus magnus	Medicinal Plant
BXGF05284	Ecbolium linneanum	Ecbolium linneanum	Medicinal Plant
BXGF05416	Euphorbia lathyris	Euphorbia lathyris	Medicinal Plant
BXGF05493	Jacobaea arnautorum	Jacobaea arnautorum	Others
BXGF05772	Rumohra adiantiformis	Rumohra adiantiformis	Others
BXGF05778	Stellera chamaejasme	Stellera chamaejasme	Medicinal Plant
BXGF05823	Ligularia pleurocaulis	Ligularia pleurocaulis	Others
BXGF05996	Pseudophegopteris subaurita	Pseudophegopteris subaurita	Medicinal Plant
BXGF06166	Polypodiodes formosana	Polypodiodes formosana	Others
BXGF06303	Symphytum tuberosum	Symphytum tuberosum	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}