acompound

Showing entry for Xanthokeistal A

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0044891
Compound Name	Xanthokeistal A
Structure
Formula	C24H28O6
InchiKey	ADTPLEJVNULKHA-BJRVJWNUSA-N
SMILES	COC(CC/C(=C/Cc1c(O)ccc(c1O)C(=O)/C=C/c1ccc(cc1)O)/C)OC
Inchi	InChI=1S/C24H28O6/c1-16(5-15-23(29-2)30-3)4-11-19-22(27)14-12-20(24(19)28)21(26)13-8-17-6-9-18(25)10-7-17/h4,6-10,12-14,23,25,27-28H,5,11,15H2,1-3H3/b13-8+,16-4+
IUPAC	(E)-1-[3-[(E)-6,6-dimethoxy-3-methylhex-2-enyl]-2,4-dihydroxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
Molecular Weight	412.19
Pubchem Id	56666829
Chembl Id	CHEMBL1823413

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	-	30900	-	-
reviewed	BXGT020791	Neuraminidase	reviewed		NA	33500	-	-	-

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	Ki	'='	33500	nM
Q9IGQ6	BXGT020791	Neuraminidase	reviewed	-	NA	IC50	'='	30900	nM

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

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}