acompound

Showing entry for Seselin

General Compound Information
BXGC Id	BXGC0006192
Compound Name	Seselin
Structure
Formula	C14H12O3
InchiKey	QUVCQYQEIOLHFZ-UHFFFAOYSA-N
SMILES	CC1(C)OC2=C(C=C1)C1=C(C=CC(=O)O1)C=C2
Inchi	InChI=1S/C14H12O3/c1-14(2)8-7-10-11(17-14)5-3-9-4-6-12(15)16-13(9)10/h3-8H,1-2H3
IUPAC	8,8-dimethyl-2H,8H-pyrano[2,3-h]chromen-2-one
Molecular Weight	228.25
Pubchem Id	68229
Chembl Id	CHEMBL71358

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

50361397

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	BXGT011200	Beta-secretase 1	reviewed	Enzyme	BACE1	-	>500000	-	-
reviewed	BXGT006207	Glyceraldehyde-3-phosphate dehydrogenase	reviewed	Enzyme	GAPDH	-	123027	-	-

CHEMBL

CHEMBL71358

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
P04406	BXGT006207	Glyceraldehyde-3-phosphate dehydrogenase	reviewed	Enzyme	GAPDH	IC50	'='	123026	nM
P56817	BXGT011200	Beta-secretase 1	reviewed	Enzyme	BACE1	Inhibition	'='	14	%
P56817	BXGT011200	Beta-secretase 1	reviewed	Enzyme	BACE1	IC50	'>'	500000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00015	Wild celery	Apium graveolens	Herbs and Spices
BXGF00054	Lemon	Citrus limon	Fruits
BXGF00056	Mandarin orange (Clementine, Tangerine)	Citrus reticulata	Fruits
BXGF00057	Sweet orange	Citrus sinensis	Fruits
BXGF00082	Fennel	Foeniculum vulgare	Herbs and Spices
BXGF00137	Anise	Pimpinella anisum	Herbs and Spices
BXGF00346	Horseradish tree	Moringa oleifera	Vegetables
BXGF00818	Herbs and Spices		Herbs and Spices
BXGF00930	Strophanthus eminii	Strophanthus eminii	Medicinal Plant
BXGF00974	Gentiana lactea	Gentiana lactea	Medicinal Plant
BXGF01066	Stevia alpina	Stevia alpina	Others
BXGF01140	Angelica gigas	Angelica gigas	Medicinal Plant
BXGF01233	Citrus hassaku	Citrus hassaku	Others
BXGF01360	Aphelandra chamissoniana	Aphelandra chamissoniana	Others
BXGF01598	Bryopsis pennata	Bryopsis pennata	Others
BXGF01622	Pseudotsuga japonica	Pseudotsuga japonica	Others
BXGF01654	Plumbago zeylanica	Plumbago zeylanica	Medicinal Plant
BXGF02049	Angelica sinensis	Angelica sinensis	Medicinal Plant
BXGF02442	Pluchea dioscoridis	Pluchea dioscoridis	Medicinal Plant
BXGF02448	Strychnos henningsii	Strychnos henningsii	Medicinal Plant
BXGF02477	Aconitum tanguticum	Aconitum tanguticum	Medicinal Plant
BXGF02511	Citropsis articulata	Citropsis articulata	Human Edible Plant
BXGF02641	Acanthophyllum sordidum	Acanthophyllum sordidum	Others
BXGF02697	Vernonia scorpioides	Vernonia scorpioides	Others
BXGF02745	Rauvolfia verticillata	Rauvolfia verticillata	Medicinal Plant
BXGF02747	Polyalthia stenopetala	Polyalthia stenopetala	Others
BXGF02879	Roemeria refracta	Roemeria refracta	Others
BXGF02913	Bougainvillea glabra	Bougainvillea glabra	Medicinal Plant
BXGF03327	Citrus trifoliata	Citrus trifoliata	Human Edible Plant
BXGF03452	Pyrola rotundifolia	Pyrola rotundifolia	Medicinal Plant
BXGF03774	Citrus rugulosa	Citrus rugulosa	Others
BXGF04159	Panax spinosus	Panax spinosus	Others
BXGF04376	Aconitum habaense	Aconitum habaense	Others
BXGF04496	Clematis flammula	Clematis flammula	Medicinal Plant
BXGF04842	Angelica acutiloba	Angelica acutiloba	Medicinal Plant
BXGF04940	Strophanthus hispidus	Strophanthus hispidus	Medicinal Plant
BXGF05255	Asterolasia squamuligera	Asterolasia squamuligera	Others
BXGF05431	Citrus natsudaidai	Citrus natsudaidai	Human Edible Plant
BXGF05472	Hortia arborea	Hortia arborea	Others
BXGF05475	Cinnamomum tenuifolium	Cinnamomum tenuifolium	Human Edible Plant
BXGF05552	Catharanthus roseus	Catharanthus roseus	Medicinal Plant
BXGF05819	Citrus aurantium	Citrus aurantium	Medicinal Plant
BXGF06044	Citrus junos	Citrus junos	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}