acompound

Showing entry for Frangulin B

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0053763
Compound Name	Frangulin B
Structure
Formula	C20H18O9
InchiKey	AEQMIFRODRFTJF-SLFFLAALSA-N
SMILES	OC[C@@]1(O)CO[C@H]([C@@H]1O)Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)C
Inchi	InChI=1S/C20H18O9/c1-8-2-10-14(12(22)3-8)17(25)15-11(16(10)24)4-9(5-13(15)23)29-19-18(26)20(27,6-21)7-28-19/h2-5,18-19,21-23,26-27H,6-7H2,1H3/t18-,19-,20+/m0/s1
IUPAC	3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-1,8-dihydroxy-6-methylanthracene-9,10-dione
Molecular Weight	402.1
Pubchem Id	442744
Chembl Id	CHEMBL496999

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	BXGT020448	P2Y purinoceptor 12	reviewed	G-protein coupled receptor	P2RY12	>10000	-	-	-

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
P11388	BXGT007697	DNA topoisomerase 2-alpha	reviewed	-	TOP2A	Inhibition	-	-	-
Q9H244	BXGT020448	P2Y purinoceptor 12	reviewed	G-protein coupled receptor	P2RY12	Ki	'>'	10000	nM
Q9H244	BXGT020448	P2Y purinoceptor 12	reviewed	G-protein coupled receptor	P2RY12	Inhibition	'='	4	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF04131	Rhamnus cathartica	Rhamnus cathartica	Medicinal Plant
BXGF04956	Rhamnus frangula	Rhamnus frangula	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}