acompound

Showing entry for Robustaflavone

General Compound Information
BXGC Id	BXGC0013850
Compound Name	Robustaflavone
Structure
Formula	C30H18O10
InchiKey	BORWSEZUWHQTOK-UHFFFAOYSA-N
SMILES	Oc1ccc(cc1)c1cc(=O)c2c(o1)cc(c(c2O)c1cc(ccc1O)c1cc(=O)c2c(o1)cc(cc2O)O)O
Inchi	InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)23-11-22(37)29-26(39-23)12-20(35)27(30(29)38)17-7-14(3-6-18(17)33)24-10-21(36)28-19(34)8-16(32)9-25(28)40-24/h1-12,31-35,38H
IUPAC	6-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Molecular Weight	538.09
Pubchem Id	5281694
Chembl Id	CHEMBL63677

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

CHEMBL63677

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
P69560	BXGT011636	Photosystem II protein D1	reviewed	-	psbA	Activity	'='	57	%
P56817	BXGT011200	Beta-secretase 1	reviewed	Enzyme	BACE1	IC50	'>'	10000	nM
P08253	BXGT006757	72 kDa type IV collagenase	reviewed	Enzyme	MMP2	Activity	-	-	-
P69560	BXGT011636	Photosystem II protein D1	reviewed	-	psbA	Activity	'='	43	%
Q9WKE8	BXGT021921	Reverse transcriptase	unreviewed	-	reverse	Inhibition	'='	91	%
P69560	BXGT011636	Photosystem II protein D1	reviewed	-	psbA	Inhibition	-	-	-
P69560	BXGT011636	Photosystem II protein D1	reviewed	-	psbA	Activity	'='	100	%
Q9WKE8	BXGT021921	Reverse transcriptase	unreviewed	-	reverse	IC50	'='	65000	nM
P10098	BXGT007536	Photosystem I iron-sulfur center	reviewed	-	psaC	Activity	'='	100	%
P69560	BXGT011636	Photosystem II protein D1	reviewed	-	psbA	Activity	'='	9	%
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	Inhibition	-	-	-
P69560	BXGT011636	Photosystem II protein D1	reviewed	-	psbA	Activity	'='	35	%
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	Ki	'='	6800	nM
P08246	BXGT006756	Neutrophil elastase	reviewed	Enzyme	ELANE	IC50	'='	1330	nM
P08253	BXGT006757	72 kDa type IV collagenase	reviewed	Enzyme	MMP2	IC50	'='	10220	nM
P69560	BXGT011636	Photosystem II protein D1	reviewed	-	psbA	Activity	'='	50	%
P69560	BXGT011636	Photosystem II protein D1	reviewed	-	psbA	Activity	'='	89	%
P35821	BXGT009871	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	Ptpn1	Inhibition	-	-	-
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	IC50	'='	6200	nM
P69560	BXGT011636	Photosystem II protein D1	reviewed	-	psbA	Activity	'='	29	%
P08254	BXGT006758	Stromelysin-1	reviewed	Enzyme	MMP3	IC50	-	-	-
P14780	BXGT008053	Matrix metalloproteinase-9	reviewed	Enzyme	MMP9	IC50	'='	11850	nM

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
BXGF01780	Selaginella tamariscina	Selaginella tamariscina	Medicinal Plant
BXGF02469	Discaria serratifolia	Discaria serratifolia	Others
BXGF04643	Selaginella pulvinata	Selaginella pulvinata	Medicinal Plant
BXGF05097	Pteris dactylina	Pteris dactylina	Medicinal Plant
BXGF06172	Pyrostegia venusta	Pyrostegia venusta	Others
BXGF06279	Dacrycarpus imbricatus	Dacrycarpus imbricatus	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}