acompound

Showing entry for flavaspidic acid-AB

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0040454
Compound Name	flavaspidic acid-AB
Structure
Formula	C22H26O8
InchiKey	RCOCGNVIADBIBD-UHFFFAOYSA-N
SMILES	CCCC(=O)c1c(O)c(CC2C(=O)C(C(=O)C)C(=O)C(C2=O)(C)C)c(c(c1O)C)O
Inchi	InChI=1S/C22H26O8/c1-6-7-13(24)15-17(26)9(2)16(25)11(18(15)27)8-12-19(28)14(10(3)23)21(30)22(4,5)20(12)29/h12,14,25-27H,6-8H2,1-5H3
IUPAC	4-acetyl-6-[(3-butanoyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-2,2-dimethylcyclohexane-1,3,5-trione
Molecular Weight	418.16
Pubchem Id	16046162
Chembl Id

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	-	28700	-	-

CHEMBL

n.a

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

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF05448	Dryopteris crassirhizoma	Dryopteris crassirhizoma	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}