acompound

Showing entry for Daphnoretin

General Compound Information
BXGC Id	BXGC0030714
Compound Name	Daphnoretin
Structure
Formula	C19H12O7
InchiKey	JRHMMVBOTXEHGJ-UHFFFAOYSA-N
SMILES	COc1cc2cc(Oc3ccc4c(c3)oc(=O)cc4)c(=O)oc2cc1O
Inchi	InChI=1S/C19H12O7/c1-23-16-6-11-7-17(19(22)26-15(11)9-13(16)20)24-12-4-2-10-3-5-18(21)25-14(10)8-12/h2-9,20H,1H3
IUPAC	7-hydroxy-6-methoxy-3-(2-oxochromen-7-yl)oxychromen-2-one
Molecular Weight	352.06
Pubchem Id	5281406
Chembl Id	CHEMBL508494

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

50241949

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	BXGT006502	DNA polymerase beta	reviewed		Polb	-	122300	-	-

CHEMBL

CHEMBL508494

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
O95398	BXGT005378	Rap guanine nucleotide exchange factor 3	reviewed	Enzyme modulator	RAPGEF3	Potency	-	50118	nM
P15917	BXGT008169	Lethal factor	reviewed	-	lef	Potency	'='	12589	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	'='	35481	nM
P06746	BXGT006496	DNA polymerase beta	reviewed	Enzyme	POLB	Potency	'='	44668	nM
P10636	BXGT007596	Microtubule-associated protein tau	reviewed	-	MAPT	Potency	'='	44668	nM
O95398	BXGT005378	Rap guanine nucleotide exchange factor 3	reviewed	Enzyme modulator	RAPGEF3	Potency	-	79432	nM
P06766	BXGT006502	DNA polymerase beta	reviewed	-	Polb	Activity	-	-	-
P00352	BXGT005510	Retinal dehydrogenase 1	reviewed	Enzyme	ALDH1A1	Potency	'='	17782	nM
P15428	BXGT008121	15-hydroxyprostaglandin dehydrogenase [NAD(+)]	reviewed	-	HPGD	Potency	'='	35481	nM
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	Potency	'='	501	nM
P27695	BXGT009199	DNA-(apurinic or apyrimidinic site) lyase	reviewed	-	APEX1	Potency	-	44668	nM
P06766	BXGT006502	DNA polymerase beta	reviewed	-	Polb	IC50	'='	122300	nM
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	20596	nM
B2RXH2	BXGT002006	Lysine-specific demethylase 4E	reviewed	-	KDM4E	Potency	'='	25118	nM
Q13526	BXGT013369	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	reviewed	-	PIN1	Potency	-	79432	nM
O95149	BXGT005350	Snurportin-1	reviewed	-	SNUPN	Potency	-	35481	nM
Q14974	BXGT013516	Importin subunit beta-1	reviewed	Transporter	KPNB1	Potency	-	35481	nM
P00352	BXGT005510	Retinal dehydrogenase 1	reviewed	Enzyme	ALDH1A1	Potency	'='	25118	nM
Q99714	BXGT019954	3-hydroxyacyl-CoA dehydrogenase type-2	reviewed	Enzyme	HSD17B10	Potency	'='	31622	nM
B2RXH2	BXGT002006	Lysine-specific demethylase 4E	reviewed	-	KDM4E	Potency	'='	35481	nM
Q9UNA4	BXGT021785	DNA polymerase iota	reviewed	-	POLI	Potency	-	63095	nM
Q9UBT6	BXGT021664	DNA polymerase kappa	reviewed	-	POLK	Potency	-	354	nM
P27487	BXGT009187	Dipeptidyl peptidase 4	reviewed	Enzyme	DPP4	IC50	'='	87100	nM
Q9NR56	BXGT021179	Muscleblind-like protein 1	reviewed	Nucleic acid binding	MBNL1	Potency	-	6309	nM

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
BXGF00983	Marshallia graminifolia	Marshallia graminifolia	Others
BXGF00993	Dracaena concinna	Dracaena concinna	Others
BXGF01015	Acer caudatifolium	Acer caudatifolium	Others
BXGF01366	Baccharis macraei	Baccharis macraei	Others
BXGF01379	Astragalus sinicus	Astragalus sinicus	Medicinal Plant
BXGF01746	Salacia cordata	Salacia cordata	Human Edible Plant
BXGF01818	Ophiorrhiza kuroiwae	Ophiorrhiza kuroiwae	Others
BXGF01849	Aconitum heterophyllum	Aconitum heterophyllum	Medicinal Plant
BXGF02002	Vernonia megapotamica	Vernonia megapotamica	Others
BXGF02147	Edgeworthia gardneri	Edgeworthia gardneri	Medicinal Plant
BXGF02217	Euphorbia fischeriana	Euphorbia fischeriana	Medicinal Plant
BXGF02255	Serratula strangulata	Serratula strangulata	Medicinal Plant
BXGF02401	Mikania goyazensis	Mikania goyazensis	Others
BXGF02482	Isodon amethystoides	Isodon amethystoides	Medicinal Plant
BXGF02498	Cynoglossum formosanum	Cynoglossum formosanum	Others
BXGF02580	Agathis lanceolata	Agathis lanceolata	Human Edible Plant
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
BXGF04922	Euphorbia ebracteolata	Euphorbia ebracteolata	Medicinal Plant
BXGF05196	Neolitsea pulchella	Neolitsea pulchella	Medicinal Plant
BXGF05208	Daphne odora	Daphne odora	Medicinal Plant
BXGF05772	Rumohra adiantiformis	Rumohra adiantiformis	Others
BXGF06282	Daphne genkwa	Daphne genkwa	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}