acompound

Showing entry for 2-[3,4-Dihydroxy-5-(3-Methylbut-2-Enyl)Phenyl]-3,5,7-Trihydroxy-8-(2-Methylbut-3-En-2-Yl)Chromen-4-One

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0043583
Compound Name	2-[3,4-Dihydroxy-5-(3-Methylbut-2-Enyl)Phenyl]-3,5,7-Trihydroxy-8-(2-Methylbut-3-En-2-Yl)Chromen-4-One
Structure
Formula	C25H26O7
InchiKey	XCKYBRFHABGHMT-UHFFFAOYSA-N
SMILES	C=CC(c1c(O)cc(c2c1oc(c1cc(O)c(c(c1)CC=C(C)C)O)c(c2=O)O)O)(C)C
Inchi	InChI=1S/C25H26O7/c1-6-25(4,5)19-16(27)11-15(26)18-21(30)22(31)23(32-24(18)19)14-9-13(8-7-12(2)3)20(29)17(28)10-14/h6-7,9-11,26-29,31H,1,8H2,2-5H3
IUPAC	2-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-3,5,7-trihydroxy-8-(2-methylbut-3-en-2-yl)chromen-4-one
Molecular Weight	438.17
Pubchem Id	10048747
Chembl Id	CHEMBL323712

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	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed		PTPN1	-	4300	-	-

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	'='	4300	nM
P07265	BXGT006583	Alpha-glucosidase MAL62	reviewed	-	MAL62	logIC50	'='	0	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF05476	Broussonetia papyrifera	Broussonetia papyrifera	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}