acompound

Showing entry for Osthenol

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0006068
Compound Name	Osthenol
Structure
Formula	C14H14O3
InchiKey	RAKJVIPCCGXHHS-UHFFFAOYSA-N
SMILES	CC(C)=CCC1=C(O)C=CC2=C1OC(=O)C=C2
Inchi	InChI=1S/C14H14O3/c1-9(2)3-6-11-12(15)7-4-10-5-8-13(16)17-14(10)11/h3-5,7-8,15H,6H2,1-2H3
IUPAC	7-hydroxy-8-(3-methylbut-2-en-1-yl)-2H-chromen-2-one
Molecular Weight	230.26
Pubchem Id	5320318
Chembl Id	CHEMBL350475

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	-	-
reviewed	BXGT008837	Prostaglandin G/H synthase 1	reviewed	Enzyme	PTGS1	-	64000	-	-

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	IC50	'>'	500000	nM
P08183	BXGT006741	ATP-dependent translocase ABCB1	reviewed	Transporter	ABCB1	IC50	-	-	-
P23219	BXGT008837	Prostaglandin G/H synthase 1	reviewed	Enzyme	PTGS1	IC50	'='	64000	nM
P56817	BXGT011200	Beta-secretase 1	reviewed	Enzyme	BACE1	Inhibition	'='	39	%
A0A0C5K5S3	BXGT000138	Fluoroquinolone resistance protein	unreviewed	-	mdeA	MIC	'='	256	ug.mL-1
P0A0J7	BXGT006970	Quinolone resistance protein NorA	reviewed	-	norA	MIC	'='	2	ug.mL-1
P08183	BXGT006741	ATP-dependent translocase ABCB1	reviewed	Transporter	ABCB1	Inhibition	-	-	-
P0A0J7	BXGT006970	Quinolone resistance protein NorA	reviewed	-	norA	FC	'='	4	-
A0A0C5K5S3	BXGT000138	Fluoroquinolone resistance protein	unreviewed	-	mdeA	FC	'='	0	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00001	Angelica	Angelica keiskei	Herbs and Spices
BXGF00015	Wild celery	Apium graveolens	Herbs and Spices
BXGF00082	Fennel	Foeniculum vulgare	Herbs and Spices
BXGF00824	Green vegetables		Vegetables
BXGF01233	Citrus hassaku	Citrus hassaku	Others
BXGF01901	Uncaria perrottetii	Uncaria perrottetii	Medicinal Plant
BXGF02647	Citrus tamurana	Citrus tamurana	Others
BXGF02735	Anagallis arvensis	Anagallis arvensis	Medicinal Plant
BXGF03043	Melicope semecarpifolia	Melicope semecarpifolia	Medicinal Plant
BXGF03735	Hansenia weberbaueriana	Hansenia weberbaueriana	Others
BXGF03774	Citrus rugulosa	Citrus rugulosa	Others
BXGF03888	Angelica dahurica	Angelica dahurica	Medicinal Plant
BXGF06208	Rosa transmorrisonensis	Rosa transmorrisonensis	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}