acompound

Showing entry for Ononin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0044375
Compound Name	Ononin
Structure
Formula	C22H22O9
InchiKey	MGJLSBDCWOSMHL-MIUGBVLSSA-N
SMILES	OC[C@H]1O[C@@H](Oc2ccc3c(c2)occ(c3=O)c2ccc(cc2)OC)[C@@H]([C@H]([C@@H]1O)O)O
Inchi	InChI=1S/C22H22O9/c1-28-12-4-2-11(3-5-12)15-10-29-16-8-13(6-7-14(16)18(15)24)30-22-21(27)20(26)19(25)17(9-23)31-22/h2-8,10,17,19-23,25-27H,9H2,1H3/t17-,19-,20+,21-,22-/m1/s1
IUPAC	3-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Molecular Weight	430.13
Pubchem Id	442813
Chembl Id	CHEMBL465980

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	-	-	120	-
reviewed	BXGT006312	Aldehyde dehydrogenase, mitochondrial	reviewed	Enzyme	ALDH2	-	>6000	-	-

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
Q96QE3	BXGT019718	ATPase family AAA domain-containing protein 5	reviewed	-	ATAD5	Potency	-	7304	nM
P51151	BXGT010837	Ras-related protein Rab-9A	reviewed	-	RAB9A	Potency	'='	1584	nM
P38398	BXGT010037	Breast cancer type 1 susceptibility protein	reviewed	Enzyme	BRCA1	Potency	-	2511	nM
P27338	BXGT009172	Amine oxidase [flavin-containing] B	reviewed	-	MAOB	NI	-	-	-
P21397	BXGT008644	Amine oxidase [flavin-containing] A	reviewed	-	MAOA	NI	-	-	-
P04637	BXGT006243	Cellular tumor antigen p53	reviewed	Transcription factor	TP53	Potency	-	22387	nM
P04637	BXGT006243	Cellular tumor antigen p53	reviewed	Transcription factor	TP53	Potency	-	10000	nM
P05091	BXGT006312	Aldehyde dehydrogenase, mitochondrial	reviewed	Enzyme	ALDH2	IC50	'>'	6000	nM
P15121	BXGT008083	Aldo-keto reductase family 1 member B1	reviewed	Enzyme	AKR1B1	Inhibition	'='	52	%
Q96QE3	BXGT019718	ATPase family AAA domain-containing protein 5	reviewed	-	ATAD5	Potency	-	6510	nM
P08659	BXGT006805	Luciferin 4-monooxygenase	reviewed	-		Potency	-	10691	nM
Q96QE3	BXGT019718	ATPase family AAA domain-containing protein 5	reviewed	-	ATAD5	Potency	-	8196	nM
Q9UNA4	BXGT021785	DNA polymerase iota	reviewed	-	POLI	Potency	-	39810	nM
P38398	BXGT010037	Breast cancer type 1 susceptibility protein	reviewed	Enzyme	BRCA1	Potency	-	2818	nM
P04637	BXGT006243	Cellular tumor antigen p53	reviewed	Transcription factor	TP53	Potency	-	2909	nM
O15118	BXGT004127	NPC intracellular cholesterol transporter 1	reviewed	Transporter	NPC1	Potency	'='	1584	nM
Q16236	BXGT013624	Nuclear factor erythroid 2-related factor 2	reviewed	Enzyme	NFE2L2	Potency	-	18356	nM
P60568	BXGT011315	Interleukin-2	reviewed	-	IL2	Kd	'='	120	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF02103	Astragalus mongholicus	Astragalus mongholicus	Medicinal Plant
BXGF02131	Glycyrrhiza	Glycyrrhiza	Medicinal Plant
BXGF02381	Glycyrrhiza inflata	Glycyrrhiza inflata	Medicinal Plant
BXGF03100	Astragalus complanatus	Astragalus complanatus	Medicinal Plant
BXGF03163	Wisteria brachybotrys	Wisteria brachybotrys	Human Edible Plant
BXGF03901	Astragalus membranaceus	Astragalus membranaceus	Medicinal Plant
BXGF03908	Hedysarum multijugum maxim	Hedysarum multijugum maxim	Others
BXGF04062	Spatholobus suberectus	Spatholobus suberectus	Medicinal Plant
BXGF04872	Glycyrrhiza glabra	Glycyrrhiza glabra	Medicinal Plant
BXGF04943	Pueraria lobata	Pueraria lobata	Medicinal Plant
BXGF05722	Hedysarum polybotrys	Hedysarum polybotrys	Medicinal Plant
BXGF05790	Glycyrrhiza uralensis	Glycyrrhiza uralensis	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}