acompound

Showing entry for Skyrin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0043264
Compound Name	Skyrin
Structure
Formula	C30H18O10
InchiKey	MQSXZQXHIJMNAF-UHFFFAOYSA-N
SMILES	Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1c1c(O)cc(c2c1C(=O)c1cc(C)cc(c1C2=O)O)O)O
Inchi	InChI=1S/C30H18O10/c1-9-3-11-19(13(31)5-9)29(39)23-17(35)7-15(33)21(25(23)27(11)37)22-16(34)8-18(36)24-26(22)28(38)12-4-10(2)6-14(32)20(12)30(24)40/h3-8,31-36H,1-2H3
IUPAC	2,4,5-trihydroxy-7-methyl-1-(2,4,5-trihydroxy-7-methyl-9,10-dioxoanthracen-1-yl)anthracene-9,10-dione
Molecular Weight	538.09
Pubchem Id	73071
Chembl Id	CHEMBL472851

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	BXGT007529	Botulinum neurotoxin type A	reviewed		botA	-	31500	-	-

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
P0DPI1	BXGT007529	Botulinum neurotoxin type A	reviewed	-	botA	TIME	'='	1	hr
P0DPI1	BXGT007529	Botulinum neurotoxin type A	reviewed	-	botA	Inhibition	'='	74	%
P0DPI1	BXGT007529	Botulinum neurotoxin type A	reviewed	-	botA	Inhibition	'='	40	%
P0DPI1	BXGT007529	Botulinum neurotoxin type A	reviewed	-	botA	IC50	'='	31500	nM
P0DPI1	BXGT007529	Botulinum neurotoxin type A	reviewed	-	botA	TIME	'='	1	hr

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00903	Crotalaria assamica	Crotalaria assamica	Medicinal Plant
BXGF03748	Ventilago leiocarpa	Ventilago leiocarpa	Medicinal Plant
BXGF05269	Hypericum perforatum	Hypericum perforatum	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}