acompound

Showing entry for n.a

General Compound Information
BXGC Id	BXGC0034421
Compound Name	n.a
Structure
Formula	C26H26O12
InchiKey	VEBNYMXKXIIGFX-VOHNXBSUSA-N
SMILES	COC(=O)[C@]1(O)C[C@@H](OC(=O)/C=C/c2ccc(c(c2)O)O)[C@H]([C@@H](C1)OC(=O)/C=C/c1ccc(c(c1)O)O)O
Inchi	InChI=1S/C26H26O12/c1-36-25(34)26(35)12-20(37-22(31)8-4-14-2-6-16(27)18(29)10-14)24(33)21(13-26)38-23(32)9-5-15-3-7-17(28)19(30)11-15/h2-11,20-21,24,27-30,33,35H,12-13H2,1H3/b8-4+,9-5+/t20-,21-,24-,26+/m1/s1
IUPAC
Molecular Weight	530.14
Pubchem Id
Chembl Id	CHEMBL463337

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

50163307

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	BXGT013373	Histone deacetylase 1	reviewed	Epigenetic regulator	HDAC1	-	4990	-	-
reviewed	BXGT013373	Histone deacetylase 1	reviewed	Epigenetic regulator	HDAC1	-	7590	-	-

CHEMBL

CHEMBL463337

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
P29477	BXGT009355	Nitric oxide synthase, inducible	reviewed	-	Nos2	Inhibition	-	-	-
Q969S8	BXGT019613	Polyamine deacetylase HDAC10	reviewed	Epigenetic regulator	HDAC10	IC50	'='	4990	nM
Q9UKV0	BXGT021750	Histone deacetylase 9	reviewed	Epigenetic regulator	HDAC9	IC50	'='	4990	nM
P56524	BXGT011176	Histone deacetylase 4	reviewed	Epigenetic regulator	HDAC4	IC50	'='	4990	nM
Q96DB2	BXGT019639	Histone deacetylase 11	reviewed	Epigenetic regulator	HDAC11	IC50	'='	4990	nM
Q9BY41	BXGT020180	Histone deacetylase 8	reviewed	Epigenetic regulator	HDAC8	IC50	'='	4990	nM
Q8WUI4	BXGT018992	Histone deacetylase 7	reviewed	Epigenetic regulator	HDAC7	IC50	'='	4990	nM
Q9UQL6	BXGT021813	Histone deacetylase 5	reviewed	Epigenetic regulator	HDAC5	IC50	'='	4990	nM
Q92769	BXGT019370	Histone deacetylase 2	reviewed	Epigenetic regulator	HDAC2	IC50	'='	4990	nM
Q9UBN7	BXGT021658	Histone deacetylase 6	reviewed	Epigenetic regulator	HDAC6	IC50	'='	4990	nM
O15379	BXGT004159	Histone deacetylase 3	reviewed	Epigenetic regulator	HDAC3	IC50	'='	4990	nM
Q13547	BXGT013373	Histone deacetylase 1	reviewed	Epigenetic regulator	HDAC1	IC50	'='	4990	nM
Q969S8	BXGT019613	Polyamine deacetylase HDAC10	reviewed	Epigenetic regulator	HDAC10	IC50	'='	7590	nM
Q9UKV0	BXGT021750	Histone deacetylase 9	reviewed	Epigenetic regulator	HDAC9	IC50	'='	7590	nM
P56524	BXGT011176	Histone deacetylase 4	reviewed	Epigenetic regulator	HDAC4	IC50	'='	7590	nM
Q96DB2	BXGT019639	Histone deacetylase 11	reviewed	Epigenetic regulator	HDAC11	IC50	'='	7590	nM
Q9BY41	BXGT020180	Histone deacetylase 8	reviewed	Epigenetic regulator	HDAC8	IC50	'='	7590	nM
Q8WUI4	BXGT018992	Histone deacetylase 7	reviewed	Epigenetic regulator	HDAC7	IC50	'='	7590	nM
Q9UQL6	BXGT021813	Histone deacetylase 5	reviewed	Epigenetic regulator	HDAC5	IC50	'='	7590	nM
Q92769	BXGT019370	Histone deacetylase 2	reviewed	Epigenetic regulator	HDAC2	IC50	'='	7590	nM
Q9UBN7	BXGT021658	Histone deacetylase 6	reviewed	Epigenetic regulator	HDAC6	IC50	'='	7590	nM
O15379	BXGT004159	Histone deacetylase 3	reviewed	Epigenetic regulator	HDAC3	IC50	'='	7590	nM
Q13547	BXGT013373	Histone deacetylase 1	reviewed	Epigenetic regulator	HDAC1	IC50	'='	7590	nM
Q969S8	BXGT019613	Polyamine deacetylase HDAC10	reviewed	Epigenetic regulator	HDAC10	Inhibition	-	-	-
Q9UKV0	BXGT021750	Histone deacetylase 9	reviewed	Epigenetic regulator	HDAC9	Inhibition	-	-	-
P56524	BXGT011176	Histone deacetylase 4	reviewed	Epigenetic regulator	HDAC4	Inhibition	-	-	-
Q96DB2	BXGT019639	Histone deacetylase 11	reviewed	Epigenetic regulator	HDAC11	Inhibition	-	-	-
Q9BY41	BXGT020180	Histone deacetylase 8	reviewed	Epigenetic regulator	HDAC8	Inhibition	-	-	-
Q8WUI4	BXGT018992	Histone deacetylase 7	reviewed	Epigenetic regulator	HDAC7	Inhibition	-	-	-
Q9UQL6	BXGT021813	Histone deacetylase 5	reviewed	Epigenetic regulator	HDAC5	Inhibition	-	-	-
Q92769	BXGT019370	Histone deacetylase 2	reviewed	Epigenetic regulator	HDAC2	Inhibition	-	-	-
Q9UBN7	BXGT021658	Histone deacetylase 6	reviewed	Epigenetic regulator	HDAC6	Inhibition	-	-	-
O15379	BXGT004159	Histone deacetylase 3	reviewed	Epigenetic regulator	HDAC3	Inhibition	-	-	-
Q13547	BXGT013373	Histone deacetylase 1	reviewed	Epigenetic regulator	HDAC1	Inhibition	-	-	-
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	Inhibition	-	-	-
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	IC50	'='	42700	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00923	Dichrocephala bicolor	Dichrocephala bicolor	Medicinal Plant
BXGF01775	Phagnalon rupestre	Phagnalon rupestre	Medicinal Plant
BXGF02215	Pteris altissima	Pteris altissima	Others
BXGF02508	Millettia ichthyochtona	Millettia ichthyochtona	Others
BXGF02820	Ceratozamia kuesteriana	Ceratozamia kuesteriana	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}