acompound

Showing entry for Gentisein

General Compound Information
BXGC Id	BXGC0000298
Compound Name	Gentisein
Structure
Formula	C13H8O5
InchiKey	JJUNZBRHHGLJQW-UHFFFAOYSA-N
SMILES	OC1=CC=C2OC3=C(C(O)=CC(O)=C3)C(=O)C2=C1
Inchi	InChI=1S/C13H8O5/c14-6-1-2-10-8(3-6)13(17)12-9(16)4-7(15)5-11(12)18-10/h1-5,14-16H
IUPAC	1,3,7-trihydroxy-9H-xanthen-9-one
Molecular Weight	244.2
Pubchem Id	5281635
Chembl Id	CHEMBL361025

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

50155446

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	BXGT006615	Urease	reviewed		-	-	138430	-	-
reviewed	BXGT010694	Fatty acid synthase	reviewed	Enzyme	FASN	-	40980	-	-
reviewed	BXGT008644	Amine oxidase [flavin-containing] A	reviewed		MAOA	-	8000	-	-

CHEMBL

CHEMBL361025

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
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	24	ug.mL-1
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	13	ug.mL-1
P21397	BXGT008644	Amine oxidase [flavin-containing] A	reviewed	-	MAOA	IC50	'='	8000	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	9	ug.mL-1
P49327	BXGT010694	Fatty acid synthase	reviewed	Enzyme	FASN	IC50	'='	40980	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	26	ug.mL-1

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00093	Black walnut	Juglans nigra	Nuts
BXGF00106	Mango	Mangifera indica	Fruits
BXGF00373	Purple mangosteen	Garcinia mangostana	Fruits
BXGF00440	Soursop	Annona muricata	Fruits
BXGF00806	Alcoholic beverages		Beverages
BXGF00818	Herbs and Spices		Herbs and Spices
BXGF00825	Root vegetables		Vegetables
BXGF00846	Gentiana lutea	Gentiana lutea	Vegetables
BXGF00864	Nicotiana sylvestris	Nicotiana sylvestris	Others
BXGF00927	Dolomiaea souliei	Dolomiaea souliei	Others
BXGF00932	Gentiana scabra	Gentiana scabra	Medicinal Plant
BXGF01007	Eucalyptus camaldulensis	Eucalyptus camaldulensis	Medicinal Plant
BXGF01050	Artocarpus integra	Artocarpus integra	Medicinal Plant
BXGF01708	Narcissus concolor	Narcissus concolor	Others
BXGF02230	Leptochloa digitata	Leptochloa digitata	Others
BXGF02494	Pinus heldreichii	Pinus heldreichii	Human Edible Plant
BXGF02585	Eupatorium sachalinense	Eupatorium sachalinense	Medicinal Plant
BXGF02781	Piper umbellatum	Piper umbellatum	Medicinal Plant
BXGF02946	Artemisia anomala	Artemisia anomala	Medicinal Plant
BXGF03782	Boehmeria pannosa	Boehmeria pannosa	Others
BXGF03981	Senecio vellereus	Senecio vellereus	Others
BXGF04105	Dipentodon sinicus	Dipentodon sinicus	Others
BXGF04130	Cirsium carolinianum	Cirsium carolinianum	Others
BXGF04177	Cordylanthus kingii	Cordylanthus kingii	Others
BXGF04254	Hypericum oblongifolium	Hypericum oblongifolium	Medicinal Plant
BXGF04401	Annona impressivenia	Annona impressivenia	Others
BXGF04519	Serpocaulon triseriale	Serpocaulon triseriale	Others
BXGF04728	Alseodaphne corneri	Alseodaphne corneri	Others
BXGF04730	Thymus piperella	Thymus piperella	Human Edible Plant
BXGF04739	Forsteronia refracta	Forsteronia refracta	Others
BXGF04742	Eragrostis viscosa	Eragrostis viscosa	Medicinal Plant
BXGF04747	Nauclea officinalis	Nauclea officinalis	Medicinal Plant
BXGF04753	Grewia mollis	Grewia mollis	Medicinal Plant
BXGF04765	Heterotheca grandiflora	Heterotheca grandiflora	Others
BXGF04771	Croton cumingii	Croton cumingii	Medicinal Plant
BXGF04775	Bersama yangambiensis	Bersama yangambiensis	Others
BXGF04783	Ruta pinnata	Ruta pinnata	Medicinal Plant
BXGF04795	Disynaphia halimifolia	Disynaphia halimifolia	Others
BXGF04821	Kaunia saltensis	Kaunia saltensis	Others
BXGF04826	Heliotropium floridum	Heliotropium floridum	Others
BXGF04835	Castanopsis sclerophylla	Castanopsis sclerophylla	Medicinal Plant
BXGF04839	Gymnocarpium robertianum	Gymnocarpium robertianum	Others
BXGF04846	Oncoba echinata	Oncoba echinata	Others
BXGF04851	Salvia dorrii	Salvia dorrii	Others
BXGF04858	Teucrium depressum	Teucrium depressum	Others
BXGF04866	Aconitum nevadense	Aconitum nevadense	Others
BXGF04871	Trichilia rubescens	Trichilia rubescens	Others
BXGF04874	Conocephalum japonicum	Conocephalum japonicum	Others
BXGF04880	Hovenia acerba	Hovenia acerba	Medicinal Plant
BXGF04885	Stevia polycephala	Stevia polycephala	Others
BXGF04893	Sophora angustifolia	Sophora angustifolia	Others
BXGF04901	Kaempferia marginata	Kaempferia marginata	Medicinal Plant
BXGF05013	Piper lanceifolium	Piper lanceifolium	Others
BXGF05064	Fridericia chica	Fridericia chica	Medicinal Plant
BXGF05090	Lonicera hypoleuca	Lonicera hypoleuca	Human Edible Plant
BXGF05213	Halimodendron halodendron	Halimodendron halodendron	Others
BXGF05245	Doodia picta	Doodia picta	Others
BXGF05254	Pericome caudata	Pericome caudata	Others
BXGF05704	Securidaca inappendiculata	Securidaca inappendiculata	Medicinal Plant
BXGF05825	Senecio brasiliensis	Senecio brasiliensis	Medicinal Plant
BXGF06008	Aster bellidiastrum	Aster bellidiastrum	Others
BXGF06276	Wibelia divaricata	Wibelia divaricata	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}