acompound

Showing entry for Swertisin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0013436
Compound Name	Swertisin
Structure
Formula	C22H22O10
InchiKey	ABRULANJVVJLFI-UHFFFAOYSA-N
SMILES	OCC1OC(C(C(C1O)O)O)c1c(OC)cc2c(c1O)c(=O)cc(o2)c1ccc(cc1)O
Inchi	InChI=1S/C22H22O10/c1-30-13-7-14-16(11(25)6-12(31-14)9-2-4-10(24)5-3-9)19(27)17(13)22-21(29)20(28)18(26)15(8-23)32-22/h2-7,15,18,20-24,26-29H,8H2,1H3
IUPAC	5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
Molecular Weight	446.12
Pubchem Id	369636
Chembl Id	CHEMBL174243

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
Q7ZJM1	BXGT017268	Integrase	unreviewed	-	pol	IC50	'='	134000	nM
Q7ZJM1	BXGT017268	Integrase	unreviewed	-	pol	Inhibition	'='	62	%
Q7ZJM1	BXGT017268	Integrase	unreviewed	-	pol	Inhibition	'='	66	%
Q7ZJM1	BXGT017268	Integrase	unreviewed	-	pol	IC50	'='	130	ug.mL-1
Q7ZJM1	BXGT017268	Integrase	unreviewed	-	pol	Inhibition	'='	43	%
Q7ZJM1	BXGT017268	Integrase	unreviewed	-	pol	IC50	'='	224000	nM
Q7ZJM1	BXGT017268	Integrase	unreviewed	-	pol	IC50	'='	291000	nM
Q7ZJM1	BXGT017268	Integrase	unreviewed	-	pol	IC50	'='	60	ug.mL-1
Q7ZJM1	BXGT017268	Integrase	unreviewed	-	pol	IC50	'='	100	ug.mL-1
Q7ZJM1	BXGT017268	Integrase	unreviewed	-	pol	Inhibition	'='	92	%
Q7ZJM1	BXGT017268	Integrase	unreviewed	-	pol	IC50	'='	143000	nM
Q7ZJM1	BXGT017268	Integrase	unreviewed	-	pol	IC50	'='	64	ug.mL-1

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01530	Lophatherum gracile	Lophatherum gracile	Medicinal Plant
BXGF01830	Swertia pseudochinensis	Swertia pseudochinensis	Medicinal Plant
BXGF04537	Swertia japonica	Swertia japonica	Medicinal Plant
BXGF05571	Ziziphus jujuba	Ziziphus jujuba	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}