acompound

Showing entry for 3,5,7-Trihydroxy-3',4',5'-Trimethoxyflavone

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0028996
Compound Name	3,5,7-Trihydroxy-3',4',5'-Trimethoxyflavone
Structure
Formula	C18H16O8
InchiKey	LHNLHJJGLDWGFS-UHFFFAOYSA-N
SMILES	COc1c(OC)cc(cc1OC)c1oc2cc(O)cc(c2c(=O)c1O)O
Inchi	InChI=1S/C18H16O8/c1-23-12-4-8(5-13(24-2)18(12)25-3)17-16(22)15(21)14-10(20)6-9(19)7-11(14)26-17/h4-7,19-20,22H,1-3H3
IUPAC	3,5,7-trihydroxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
Molecular Weight	360.08
Pubchem Id	5481248
Chembl Id	CHEMBL75258

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	BXGT007329	DNA gyrase subunit A	reviewed		gyrA	-	>1380000	-	-
reviewed	BXGT006741	ATP-dependent translocase ABCB1	reviewed	Transporter	ABCB1	-	3200	-	-

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
Q02880	BXGT012677	DNA topoisomerase 2-beta	reviewed	-	TOP2B	CC50	-	-	-
P0AES4	BXGT007329	DNA gyrase subunit A	reviewed	-	gyrA	IC50	'>'	500	ug.mL-1
P0AES6	BXGT007331	DNA gyrase subunit B	reviewed	-	gyrB	IC50	'>'	500	ug.mL-1
P08183	BXGT006741	ATP-dependent translocase ABCB1	reviewed	Transporter	ABCB1	IC50	'='	3200	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF02197	Vitex peduncularis	Vitex peduncularis	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}