acompound

Showing entry for 5-(7-Hydroxy-Chroman-2-Yl)-3-(3-Methyl-But-2-Enyl)-Benzene-1,2-Diol

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0045810
Compound Name	5-(7-Hydroxy-Chroman-2-Yl)-3-(3-Methyl-But-2-Enyl)-Benzene-1,2-Diol
Structure
Formula	C20H22O4
InchiKey	MSTNVJDHQJXVFI-UHFFFAOYSA-N
SMILES	CC(=CCc1cc(cc(c1O)O)C1CCc2c(O1)cc(cc2)O)C
Inchi	InChI=1S/C20H22O4/c1-12(2)3-4-14-9-15(10-17(22)20(14)23)18-8-6-13-5-7-16(21)11-19(13)24-18/h3,5,7,9-11,18,21-23H,4,6,8H2,1-2H3
IUPAC	5-(7-hydroxy-3,4-dihydro-2H-chromen-2-yl)-3-(3-methylbut-2-enyl)benzene-1,2-diol
Molecular Weight	326.15
Pubchem Id	44342137
Chembl Id	CHEMBL420310

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	-	41500	-	-

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
P07265	BXGT006583	Alpha-glucosidase MAL62	reviewed	-	MAL62	logIC50	'='	1	-
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	IC50	'='	41500	nM

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}