acompound

Showing entry for Xanthoxylol

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0052330
Compound Name	Xanthoxylol
Structure
Formula	C20H20O6
InchiKey	VBIRCRCPHNUJAS-VPCNSNALSA-N
SMILES	COc1cc(ccc1O)[C@@H]1OC[C@@H]2[C@H]1CO[C@@H]2c1ccc2c(c1)OCO2
Inchi	InChI=1S/C20H20O6/c1-22-17-6-11(2-4-15(17)21)19-13-8-24-20(14(13)9-23-19)12-3-5-16-18(7-12)26-10-25-16/h2-7,13-14,19-21H,8-10H2,1H3/t13-,14-,19+,20-/m1/s1
IUPAC	4-[(3S,3aS,6R,6aS)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-methoxyphenol
Molecular Weight	356.13
Pubchem Id	44144290
Chembl Id	CHEMBL2136585

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
Q03431	BXGT012714	Parathyroid hormone/parathyroid hormone-related peptide receptor	reviewed	G-protein coupled receptor	PTH1R	Potency	-	125892	nM
Q13148	BXGT013318	TAR DNA-binding protein 43	reviewed	-	TARDBP	Potency	-	7943	nM
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	145	nM
P63092	BXGT011495	Guanine nucleotide-binding protein G(s) subunit alpha isoforms short	reviewed	-	GNAS	Potency	-	56234	nM
P43220	BXGT010367	Glucagon-like peptide 1 receptor	reviewed	G-protein coupled receptor	GLP1R	Potency	-	7079	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00557	Black salsify	Scorzonera hispanica	Vegetables
BXGF01119	Trapa japonica	Trapa japonica	Medicinal Plant
BXGF01339	Diospyros peregrina	Diospyros peregrina	Medicinal Plant
BXGF01363	Diospyros elliptifolia	Diospyros elliptifolia	Others
BXGF01386	Asarum heterotropoides	Asarum heterotropoides	Others
BXGF01525	Diospyros abyssinica	Diospyros abyssinica	Medicinal Plant
BXGF01572	Cratystylis conocephala	Cratystylis conocephala	Others
BXGF01645	Beaucarnea recurvata	Beaucarnea recurvata	Others
BXGF05331	Centaurea arenaria	Centaurea arenaria	Others
BXGF05627	Asarum sieboldii	Asarum sieboldii	Medicinal Plant
BXGF05638	Gutenbergia cordifolia	Gutenbergia cordifolia	Medicinal Plant
BXGF05978	Hypoestes purpurea	Hypoestes purpurea	Medicinal Plant
BXGF06247	Phyllodium pulchellum	Phyllodium pulchellum	Medicinal Plant
BXGF06286	Mikania scandens	Mikania scandens	Medicinal Plant
BXGF06326	Cotylelobium scabriusculum	Cotylelobium scabriusculum	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}