acompound

Showing entry for Shikonofuran E

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0041481
Compound Name	Shikonofuran E
Structure
Formula	C21H24O5
InchiKey	MIIXCJKPPPUPOJ-UHFFFAOYSA-N
SMILES	CC(=CCC(c1coc(c1)c1cc(O)ccc1O)OC(=O)C=C(C)C)C
Inchi	InChI=1S/C21H24O5/c1-13(2)5-8-19(26-21(24)9-14(3)4)15-10-20(25-12-15)17-11-16(22)6-7-18(17)23/h5-7,9-12,19,22-23H,8H2,1-4H3
IUPAC	[1-[5-(2,5-dihydroxyphenyl)furan-3-yl]-4-methylpent-3-enyl] 3-methylbut-2-enoate
Molecular Weight	356.16
Pubchem Id	5321290
Chembl Id	CHEMBL1944654

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	BXGT020791	Neuraminidase	reviewed		NA	-	>100000	-	-

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
Q9IGQ6	BXGT020791	Neuraminidase	reviewed	-	NA	Inhibition	-	-	-
Q9IGQ6	BXGT020791	Neuraminidase	reviewed	-	NA	IC50	'>'	100000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01230	Lithospermum erythrorhizon	Lithospermum erythrorhizon	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}