acompound

Showing entry for Aspidinol-B

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0051733
Compound Name	Aspidinol-B
Structure
Formula	C12H16O4
InchiKey	GJRJTYFSORWKBE-UHFFFAOYSA-N
SMILES	CCCC(=O)c1c(O)cc(c(c1O)C)OC
Inchi	InChI=1S/C12H16O4/c1-4-5-8(13)11-9(14)6-10(16-3)7(2)12(11)15/h6,14-15H,4-5H2,1-3H3
IUPAC	1-(2,6-dihydroxy-4-methoxy-3-methylphenyl)butan-1-one
Molecular Weight	224.1
Pubchem Id	122841
Chembl Id	CHEMBL214690

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	BXGT010694	Fatty acid synthase	reviewed	Enzyme	FASN	-	49100	-	-

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
P49327	BXGT010694	Fatty acid synthase	reviewed	Enzyme	FASN	IC50	'='	49100	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF03601	Maclura cochinchinensis	Maclura cochinchinensis	Medicinal Plant
BXGF04070	Acorus calamus	Acorus calamus	Medicinal Plant
BXGF05448	Dryopteris crassirhizoma	Dryopteris crassirhizoma	Medicinal Plant
BXGF05511	Acorus gramineus	Acorus gramineus	Medicinal Plant
BXGF06071	Acorus tatarinowii	Acorus tatarinowii	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}