acompound

Showing entry for Agathisflavone

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0049224
Compound Name	Agathisflavone
Structure
Formula	C30H18O10
InchiKey	BACLASYRJRZXMY-UHFFFAOYSA-N
SMILES	Oc1ccc(cc1)c1cc(=O)c2c(o1)cc(c(c2O)c1c(O)cc(c2c1oc(cc2=O)c1ccc(cc1)O)O)O
Inchi	InChI=1S/C30H18O10/c31-15-5-1-13(2-6-15)22-11-20(36)26-24(39-22)12-21(37)27(29(26)38)28-18(34)9-17(33)25-19(35)10-23(40-30(25)28)14-3-7-16(32)8-4-14/h1-12,31-34,37-38H
IUPAC	8-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-6-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Molecular Weight	538.09
Pubchem Id	5281599
Chembl Id	CHEMBL65320

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
Q9WKE8	BXGT021921	Reverse transcriptase	unreviewed	-	reverse	Inhibition	'='	99	%
Q9WKE8	BXGT021921	Reverse transcriptase	unreviewed	-	reverse	IC50	'='	100000	nM
P35520	BXGT009842	Cystathionine beta-synthase	reviewed	-	CBS	IC50	'='	17100	nM
P32929	BXGT009682	Cystathionine gamma-lyase	reviewed	Enzyme	CTH	IC50	'>'	400000	nM
P35520	BXGT009842	Cystathionine beta-synthase	reviewed	-	CBS	Inhibition	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01401	Aronia arbutifolia	Aronia arbutifolia	Medicinal Plant
BXGF01520	Viscaria viscosa	Viscaria viscosa	Others
BXGF01532	Clibadium mexiae	Clibadium mexiae	Others
BXGF02469	Discaria serratifolia	Discaria serratifolia	Others
BXGF05097	Pteris dactylina	Pteris dactylina	Medicinal Plant
BXGF06172	Pyrostegia venusta	Pyrostegia venusta	Others
BXGF06324	Justicia hayatai	Justicia hayatai	Others

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}