acompound

Showing entry for selinidin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0034673
Compound Name	selinidin
Structure
Formula	C19H20O5
InchiKey	RRHCDWLSHIIIIT-NVWZYQMFSA-N
SMILES	C/C=C(\C(=O)O[C@@H]1Cc2c(OC1(C)C)ccc1c2oc(=O)cc1)/C
Inchi	InChI=1S/C19H20O5/c1-5-11(2)18(21)22-15-10-13-14(24-19(15,3)4)8-6-12-7-9-16(20)23-17(12)13/h5-9,15H,10H2,1-4H3/b11-5-/t15-/m1/s1
IUPAC	[(9R)-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-9-yl] (Z)-2-methylbut-2-enoate
Molecular Weight	328.13
Pubchem Id	668081
Chembl Id	CHEMBL457257

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

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	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed		PTPN1	-	12	-	-

CHEMBL

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
P62157	BXGT011410	Calmodulin	reviewed	-	CALM	Activity	-	-	-
P04353	BXGT006194	Calmodulin	reviewed	-		Activity	-	-	-
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	6513	nM
Q13148	BXGT013318	TAR DNA-binding protein 43	reviewed	-	TARDBP	Potency	-	15848	nM
Q9NPD5	BXGT021151	Solute carrier organic anion transporter family member 1B3	reviewed	Transporter	SLCO1B3	Inhibition	'='	152	%
Q9Y6L6	BXGT022334	Solute carrier organic anion transporter family member 1B1	reviewed	Transporter	SLCO1B1	Inhibition	'='	165	%
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	29092	nM
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	IC50	'='	11	ug.mL-1
O89049	BXGT005293	Thioredoxin reductase 1, cytoplasmic	reviewed	-	Txnrd1	Potency	-	31622	nM
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	Inhibition	'='	93	%
P83916	BXGT012025	Chromobox protein homolog 1	reviewed	Epigenetic regulator	CBX1	Potency	-	89125	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00001	Angelica	Angelica keiskei	Herbs and Spices
BXGF00197	Broad bean	Vicia faba	Pulses
BXGF02166	Niphogeton ternata	Niphogeton ternata	Others
BXGF02308	Peucedanum japonicum	Peucedanum japonicum	Medicinal Plant
BXGF02638	Kopsia albiflora	Kopsia albiflora	Others
BXGF04420	Ribes sanguineum	Ribes sanguineum	Medicinal Plant
BXGF05040	prionosciadium watsoni	prionosciadium watsoni	Others
BXGF05477	Stachys chinensis	Stachys chinensis	Human Edible Plant
BXGF05651	Humulus scandens	Humulus scandens	Human Edible 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}