acompound

Showing entry for 2-(1,1-dimethylallyl)-1,4,5,6-tetrahydroxyxanthone

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0029438
Compound Name	2-(1,1-dimethylallyl)-1,4,5,6-tetrahydroxyxanthone
Structure
Formula	C18H16O6
InchiKey	DUEPHQIDRAQTIM-UHFFFAOYSA-N
SMILES	C=CC(c1cc(O)c2c(c1O)c(=O)c1c(o2)c(O)c(cc1)O)(C)C
Inchi	InChI=1S/C18H16O6/c1-4-18(2,3)9-7-11(20)17-12(14(9)22)13(21)8-5-6-10(19)15(23)16(8)24-17/h4-7,19-20,22-23H,1H2,2-3H3
IUPAC	1,4,5,6-tetrahydroxy-2-(2-methylbut-3-en-2-yl)xanthen-9-one
Molecular Weight	328.09
Pubchem Id	10426622
Chembl Id	CHEMBL4104006

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

n.a

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

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
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	IC50	'='	53000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00373	Purple mangosteen	Garcinia mangostana	Fruits
BXGF00864	Nicotiana sylvestris	Nicotiana sylvestris	Others
BXGF00927	Dolomiaea souliei	Dolomiaea souliei	Others
BXGF01007	Eucalyptus camaldulensis	Eucalyptus camaldulensis	Medicinal Plant
BXGF03981	Senecio vellereus	Senecio vellereus	Others
BXGF04519	Serpocaulon triseriale	Serpocaulon triseriale	Others
BXGF05090	Lonicera hypoleuca	Lonicera hypoleuca	Human Edible Plant
BXGF05213	Halimodendron halodendron	Halimodendron halodendron	Others
BXGF06008	Aster bellidiastrum	Aster bellidiastrum	Others
BXGF06276	Wibelia divaricata	Wibelia divaricata	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}