acompound

Showing entry for Oxypeucedanin hydrate

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0003219
Compound Name	Oxypeucedanin hydrate
Structure
Formula	C16H16O6
InchiKey	PEWFWDOPJISUOK-CYBMUJFWSA-N
SMILES	CC(C)(O)[C@H](O)COC1=C2C=COC2=CC2=C1C=CC(=O)O2
Inchi	InChI=1S/C16H16O6/c1-16(2,19)13(17)8-21-15-9-3-4-14(18)22-12(9)7-11-10(15)5-6-20-11/h3-7,13,17,19H,8H2,1-2H3/t13-/m1/s1
IUPAC	4-[(2R)-2,3-dihydroxy-3-methylbutoxy]-7H-furo[3,2-g]chromen-7-one
Molecular Weight	304.29
Pubchem Id	17536
Chembl Id	CHEMBL454060

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

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	BXGT011200	Beta-secretase 1	reviewed	Enzyme	BACE1	-	>500000	-	-

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
P56817	BXGT011200	Beta-secretase 1	reviewed	Enzyme	BACE1	Inhibition	'='	30	%
P56817	BXGT011200	Beta-secretase 1	reviewed	Enzyme	BACE1	IC50	'>'	500000	nM
Q13951	BXGT013407	Core-binding factor subunit beta	reviewed	-	CBFB	Potency	-	1412	nM
Q01196	BXGT012575	Runt-related transcription factor 1	reviewed	Transcription factor	RUNX1	Potency	-	1412	nM
P00811	BXGT005666	Beta-lactamase	reviewed	-	ampC	Potency	'='	44668	nM
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	115	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00053	Lime	Citrus aurantiifolia	Fruits
BXGF00054	Lemon	Citrus limon	Fruits
BXGF00131	Parsley	Petroselinum crispum	Herbs and Spices
BXGF02106	Citrus medica	Citrus medica	Medicinal Plant
BXGF02166	Niphogeton ternata	Niphogeton ternata	Others
BXGF02237	Citrus wilsonii	Citrus wilsonii	Medicinal Plant
BXGF02308	Peucedanum japonicum	Peucedanum japonicum	Medicinal Plant
BXGF03735	Hansenia weberbaueriana	Hansenia weberbaueriana	Others
BXGF03865	Hansenia forbesii	Hansenia forbesii	Others
BXGF03888	Angelica dahurica	Angelica dahurica	Medicinal Plant
BXGF04900	Ostericum grosseserratum	Ostericum grosseserratum	Human Edible Plant
BXGF04959	Citrus hystrix	Citrus hystrix	Medicinal Plant
BXGF05104	Angelica furcijuga	Angelica furcijuga	Medicinal Plant
BXGF05590	Peucedanum ostruthium	Peucedanum ostruthium	Medicinal Plant
BXGF05687	Angelica officinalis	Angelica officinalis	Medicinal Plant
BXGF06107	Glehnia littoralis	Glehnia littoralis	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}