acompound

Showing entry for Nootkatin

General Compound Information
BXGC Id	BXGC0039807
Compound Name	Nootkatin
Structure
Formula	C15H20O2
InchiKey	MNMNTZYOZZLKSV-UHFFFAOYSA-N
SMILES	CC(=CCc1ccc(c(=O)cc1C(C)C)O)C
Inchi	InChI=1S/C15H20O2/c1-10(2)5-6-12-7-8-14(16)15(17)9-13(12)11(3)4/h5,7-9,11H,6H2,1-4H3,(H,16,17)
IUPAC	2-hydroxy-5-(3-methylbut-2-enyl)-6-propan-2-ylcyclohepta-2,4,6-trien-1-one
Molecular Weight	232.15
Pubchem Id	238797
Chembl Id	CHEMBL1700891

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

CHEMBL1700891

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
Q77YF9	BXGT016886	Protein Vpr	unreviewed	-	vpr	Potency	-	56234	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	20596	nM
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	20596	nM
O75164	BXGT005104	Lysine-specific demethylase 4A	reviewed	-	KDM4A	Potency	-	56234	nM
O89049	BXGT005293	Thioredoxin reductase 1, cytoplasmic	reviewed	-	Txnrd1	Potency	-	50118	nM
Q13148	BXGT013318	TAR DNA-binding protein 43	reviewed	-	TARDBP	Potency	-	31622	nM
Q16236	BXGT013624	Nuclear factor erythroid 2-related factor 2	reviewed	Enzyme	NFE2L2	Potency	-	4610	nM
P43220	BXGT010367	Glucagon-like peptide 1 receptor	reviewed	G-protein coupled receptor	GLP1R	Potency	-	1584	nM
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	2592	nM
Q13526	BXGT013369	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	reviewed	-	PIN1	Potency	-	47754	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00514	Ostrich fern	Matteuccia struthiopteris	Vegetables
BXGF00985	Tabebuia rosea	Tabebuia rosea	Human Edible Plant
BXGF01197	Lathyrus macrorrhizus	Lathyrus macrorrhizus	Others
BXGF01300	Escallonia philippiana	Escallonia philippiana	Others
BXGF01482	Aglaia meridionalis	Aglaia meridionalis	Others
BXGF01607	Arcangelisia gusanlung	Arcangelisia gusanlung	Human Edible Plant
BXGF01650	Hippocratea indica	Hippocratea indica	Others
BXGF02019	Entandrophragma cylindricum	Entandrophragma cylindricum	Others
BXGF02080	Tanacetum santolina	Tanacetum santolina	Others
BXGF02354	Dunaliella acidophila	Dunaliella acidophila	Others
BXGF02379	Leptospermum scoparium	Leptospermum scoparium	Medicinal Plant
BXGF02414	Senecio erraticus	Senecio erraticus	Others
BXGF02434	Chamaemelum scariosum	Chamaemelum scariosum	Others
BXGF02457	Magnolia acuminata	Magnolia acuminata	Medicinal Plant
BXGF02506	Ficus maxima	Ficus maxima	Medicinal Plant
BXGF02533	Timonius kaniensis	Timonius kaniensis	Others
BXGF02534	Artemisia schmidtiana	Artemisia schmidtiana	Medicinal Plant
BXGF02559	Simmondsia chinensis	Simmondsia chinensis	Human Edible Plant
BXGF02571	Millettia racemosa	Millettia racemosa	Medicinal Plant
BXGF02645	Gleichenia glauca	Gleichenia glauca	Others
BXGF02657	Juniperus thurifera	Juniperus thurifera	Others
BXGF02704	Helipterum strictum	Helipterum strictum	Others
BXGF02741	Allium ursinum	Allium ursinum	Medicinal Plant
BXGF02755	Crotalaria lechnaultii	Crotalaria lechnaultii	Others
BXGF02769	Copaifera paupera	Copaifera paupera	Others
BXGF02798	Cleidion brevipetiolatum	Cleidion brevipetiolatum	Human Edible Plant
BXGF02834	Citrus tankan	Citrus tankan	Medicinal Plant
BXGF02844	Brickellia pendula	Brickellia pendula	Others
BXGF03357	Coleus carnosus	Coleus carnosus	Medicinal Plant
BXGF04028	Plumbago europaea	Plumbago europaea	Medicinal Plant
BXGF05146	Hesperocyparis nevadensis	Hesperocyparis nevadensis	Others
BXGF05530	Ophioglossum vulgatum	Ophioglossum vulgatum	Medicinal Plant
BXGF05782	Ammi majus	Ammi majus	Medicinal Plant
BXGF05977	Schisandra chinensis	Schisandra chinensis	Medicinal Plant
BXGF06095	Rheum undulatum	Rheum undulatum	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}