acompound

Showing entry for [(9R,10R)-8,8-Dimethyl-9-[(Z)-2-Methylbut-2-Enoyl]Oxy-2-Oxo-9,10-Dihydropyrano[2,3-F]Chromen-10-Yl] (Z)-2-Methylbut-2-Enoate

General Compound Information
BXGC Id	BXGC0038400
Compound Name	[(9R,10R)-8,8-Dimethyl-9-[(Z)-2-Methylbut-2-Enoyl]Oxy-2-Oxo-9,10-Dihydropyrano[2,3-F]Chromen-10-Yl] (Z)-2-Methylbut-2-Enoate
Structure
Formula	C24H26O7
InchiKey	PNTWXEIQXBRCPS-IOWUNYDSSA-N
SMILES	C/C=C(\C(=O)O[C@@H]1c2c(ccc3c2oc(=O)cc3)OC([C@@H]1OC(=O)/C(=C\C)/C)(C)C)/C
Inchi	InChI=1S/C24H26O7/c1-7-13(3)22(26)29-20-18-16(11-9-15-10-12-17(25)28-19(15)18)31-24(5,6)21(20)30-23(27)14(4)8-2/h7-12,20-21H,1-6H3/b13-7-,14-8-/t20-,21-/m1/s1
IUPAC	[(9R,10R)-8,8-dimethyl-9-[(Z)-2-methylbut-2-enoyl]oxy-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] (Z)-2-methylbut-2-enoate
Molecular Weight	426.17
Pubchem Id	10251869
Chembl Id	CHEMBL1610853

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

CHEMBL1610853

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
P63092	BXGT011495	Guanine nucleotide-binding protein G(s) subunit alpha isoforms short	reviewed	-	GNAS	Potency	-	10000	nM
P02545	BXGT005889	Prelamin-A/C	reviewed	-	LMNA	Potency	'='	35481	nM
O75874	BXGT005157	Isocitrate dehydrogenase [NADP] cytoplasmic	reviewed	-	IDH1	Potency	-	18356	nM
Q16637	BXGT013646	Survival motor neuron protein	reviewed	Epigenetic regulator	SMN1	Potency	'='	35481	nM
P42858	BXGT010341	Huntingtin	reviewed	-	HTT	Potency	'='	35481	nM
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	819	nM
P00811	BXGT005666	Beta-lactamase	reviewed	-	ampC	Potency	'='	39810	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	9200	nM
P02791	BXGT005965	Ferritin light chain	reviewed	-	FTL	Potency	'='	39810	nM
P51450	BXGT010847	Nuclear receptor ROR-gamma	reviewed	-	Rorc	Potency	'='	35481	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	16360	nM
P04062	BXGT006140	Lysosomal acid glucosylceramidase	reviewed	-	GBA	Potency	-	14125	nM
Q03431	BXGT012714	Parathyroid hormone/parathyroid hormone-related peptide receptor	reviewed	G-protein coupled receptor	PTH1R	Potency	-	35481	nM
P63092	BXGT011495	Guanine nucleotide-binding protein G(s) subunit alpha isoforms short	reviewed	-	GNAS	Potency	-	7079	nM
P43220	BXGT010367	Glucagon-like peptide 1 receptor	reviewed	G-protein coupled receptor	GLP1R	Potency	-	14125	nM
P84022	BXGT012027	Mothers against decapentaplegic homolog 3	reviewed	Transcription factor	SMAD3	Potency	-	35481	nM
Q16236	BXGT013624	Nuclear factor erythroid 2-related factor 2	reviewed	Enzyme	NFE2L2	Potency	-	18356	nM
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	11582	nM
Q99700	BXGT019949	Ataxin-2	reviewed	Nucleic acid binding	ATXN2	Potency	-	39810	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00100	Lovage	Levisticum officinale	Herbs and Spices
BXGF02333	Saposhnikovia divaricata	Saposhnikovia divaricata	Medicinal Plant
BXGF06027	Angelica taiwaniana	Angelica taiwaniana	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}