acompound

Showing entry for calycosin-7-O-beta-D-glucoside

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0030497
Compound Name	calycosin-7-O-beta-D-glucoside
Structure
Formula	C22H22O10
InchiKey	WACBUPFEGWUGPB-MIUGBVLSSA-N
SMILES	OC[C@H]1O[C@@H](Oc2ccc3c(c2)occ(c3=O)c2ccc(c(c2)O)OC)[C@@H]([C@H]([C@@H]1O)O)O
Inchi	InChI=1S/C22H22O10/c1-29-15-5-2-10(6-14(15)24)13-9-30-16-7-11(3-4-12(16)18(13)25)31-22-21(28)20(27)19(26)17(8-23)32-22/h2-7,9,17,19-24,26-28H,8H2,1H3/t17-,19-,20+,21-,22-/m1/s1
IUPAC	3-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Molecular Weight	446.12
Pubchem Id	5318267
Chembl Id	CHEMBL3289608

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	BXGT011315	Interleukin-2	reviewed		IL2	-	-	36	-
reviewed	BXGT005753	Tumor necrosis factor	reviewed	Signaling	TNF	-	-	1820	-

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
P01375	BXGT005753	Tumor necrosis factor	reviewed	Signaling	TNF	Kd	'='	1820	nM
P60568	BXGT011315	Interleukin-2	reviewed	-	IL2	Kd	'='	35	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01460	Dracaena cochinchinensis	Dracaena cochinchinensis	Medicinal Plant
BXGF02103	Astragalus mongholicus	Astragalus mongholicus	Medicinal Plant
BXGF03901	Astragalus membranaceus	Astragalus membranaceus	Medicinal Plant
BXGF03908	Hedysarum multijugum maxim	Hedysarum multijugum maxim	Others
BXGF05015	Balanophora involucrata	Balanophora involucrata	Medicinal Plant
BXGF06079	Pueraria montana var. lobata	Pueraria montana var. lobata	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}