acompound

General Compound Information
BXGC Id	BXGC0043891
Compound Name	daphnin
Structure
Formula	C15H16O9
InchiKey	HOIXTKAYCMNVMY-PVOAASPHSA-N
SMILES	OC[C@H]1O[C@@H](Oc2ccc3c(c2O)oc(=O)cc3)[C@@H]([C@H]([C@@H]1O)O)O
Inchi	InChI=1S/C15H16O9/c16-5-8-10(18)12(20)13(21)15(23-8)22-7-3-1-6-2-4-9(17)24-14(6)11(7)19/h1-4,8,10,12-13,15-16,18-21H,5H2/t8-,10-,12+,13-,15-/m1/s1
IUPAC	8-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
Molecular Weight	340.08
Pubchem Id	439499
Chembl Id	CHEMBL1879316

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

n.a

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

CHEMBL

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
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	130	nM
P83916	BXGT012025	Chromobox protein homolog 1	reviewed	Epigenetic regulator	CBX1	Potency	-	100000	nM
P11473	BXGT007709	Vitamin D3 receptor	reviewed	Nuclear receptor	VDR	Potency	-	89125	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00983	Marshallia graminifolia	Marshallia graminifolia	Others
BXGF01015	Acer caudatifolium	Acer caudatifolium	Others
BXGF01359	Daphne feddei	Daphne feddei	Others
BXGF01366	Baccharis macraei	Baccharis macraei	Others
BXGF01379	Astragalus sinicus	Astragalus sinicus	Medicinal Plant
BXGF01509	Solanum dulcamara	Solanum dulcamara	Medicinal Plant
BXGF01746	Salacia cordata	Salacia cordata	Human Edible Plant
BXGF01849	Aconitum heterophyllum	Aconitum heterophyllum	Medicinal Plant
BXGF02002	Vernonia megapotamica	Vernonia megapotamica	Others
BXGF02104	Derris reticulata	Derris reticulata	Others
BXGF02232	Gentiana arisanensis	Gentiana arisanensis	Others
BXGF02255	Serratula strangulata	Serratula strangulata	Medicinal Plant
BXGF02376	Ballota lanata	Ballota lanata	Others
BXGF02401	Mikania goyazensis	Mikania goyazensis	Others
BXGF02498	Cynoglossum formosanum	Cynoglossum formosanum	Others
BXGF02674	Eugenia sandwicensis	Eugenia sandwicensis	Medicinal Plant
BXGF02680	Eucalyptus ovata	Eucalyptus ovata	Others
BXGF02760	Lindera glauca	Lindera glauca	Medicinal Plant
BXGF02882	Chrysanthemum leptophyllum	Chrysanthemum leptophyllum	Others
BXGF02955	Oxytropis ochrocephala	Oxytropis ochrocephala	Others
BXGF03702	Solanum aculeatissimum	Solanum aculeatissimum	Medicinal Plant
BXGF05208	Daphne odora	Daphne odora	Medicinal Plant
BXGF05772	Rumohra adiantiformis	Rumohra adiantiformis	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}