Tan Lab | DSigDB

Gene Set: D4 : CTD - hesperetin

Collection

D4 : CTD

Chemical Name

hesperetin ( From PubChem : HESPERETIN )

FDA	NPC	WHO	Indian	Australia	China	Traditional Herbal	Clinical Trail
Not	Not	Not	Not	Not	Not	Not	Not

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
302.279 g/mol	3	6	2.5185	True

Structure

InChI

InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1

InChIKey

AIONOLUJZLIMTK-AWEZNQCLSA-N

Links

Gene (26 / 63)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
CTD	decreases(reaction)			ABCC1		C013015
CTD	decreases(response to substance)			ABCC1		C013015
CTD	increases(export)			ABCC1		C013015
CTD	increases(hydrolysis)			ABCC1		C013015
CTD	increases(reaction)			ABCC1		C013015
CTD	decreases(reaction)			ABCC4		C013015
CTD	decreases(response to substance)			ABCC4		C013015
CTD	increases(export)			ABCC4		C013015
CTD	increases(hydrolysis)			ABCC4		C013015
CTD	increases(reaction)			ABCC4		C013015
CTD	decreases(reaction)			ABCC5		C013015
CTD	decreases(response to substance)			ABCC5		C013015
CTD	increases(export)			ABCC5		C013015
CTD	affects(cotreatment)			AHR		C013015
CTD	decreases(reaction)			AHR		C013015
CTD	increases(expression)			AHR		C013015
CTD	affects(expression)			BAX		C013015
CTD	increases(expression)			BAX		C013015
CTD	affects(expression)			BCL2		C013015
CTD	decreases(expression)			BCL2		C013015
CTD	affects(cleavage)			CASP3		C013015
CTD	increases(expression)			CASP3		C013015
CTD	decreases(activity)			CAT		C013015
CTD	decreases(expression)			CCND1		C013015
CTD	decreases(expression)			CDK2		C013015
CTD	affects(binding)			CDK4		C013015
CTD	increases(reaction)			CDK4		C013015
CTD	decreases(expression)			CDK4		C013015
CTD	affects(binding)			CDKN1A		C013015
CTD	increases(reaction)			CDKN1A		C013015
CTD	increases(expression)			CDKN1A		C013015
CTD	increases(expression)			CDKN1B		C013015
CTD	increases(expression)			CYCS		C013015
CTD	decreases(activity)			CYP19A1		C013015
CTD	affects(cotreatment)			CYP1A1		C013015
CTD	decreases(reaction)			CYP1A1		C013015
CTD	increases(expression)			CYP1A1		C013015
CTD	decreases(reaction)			TP53		C013015
CTD	increases(activity)			TP53		C013015
CTD	increases(phosphorylation)			TP53		C013015
CTD	increases(expression)			UTRN		C013015
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	5.012	CYP2C19	-	GI(Protien) :
PubChem	Potency	uM	7.943	CYP2C19	-	GI(Protien) :
PubChem	None	uM		CYP2C19	-	GI(Protien) :
PubChem	Potency	uM	10.000	CYP2C9	-	GI(Protien) :
PubChem	None	uM		CYP2C9	-	GI(Protien) :
PubChem	Potency	uM	15.849	CYP3A4	-	GI(Protien) :
PubChem	Potency	uM	5.012	HIF1A	-	GI(Protien) :
ChEMBL	AC50	nM	3162.280	CYP1A2	-	Target : CHEMBL3356
ChEMBL	Potency	nM	7943.300	CYP2C19	-	Target : CHEMBL3622
ChEMBL	AC50	nM	5011.870	CYP2C19	-	Target : CHEMBL3622
ChEMBL	Potency	nM	5011.900	CYP2C19	-	Target : CHEMBL3622
ChEMBL	AC50	nM	10000.000	CYP2C9	-	Target : CHEMBL3397
ChEMBL	Potency	nM	10000.000	CYP2C9	-	Target : CHEMBL3397
ChEMBL	Potency	nM	15848.900	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	5011.900	HIF1A	-	Target : CHEMBL4261
ChEMBL	Activity	-		NR1H3	-	Target : CHEMBL2808
ChEMBL	Activity	-		NR1H3	-	Target : CHEMBL2808
ChEMBL	Activity	-		NR1H3	-	Target : CHEMBL2808
ChEMBL	Activity	-		PPARG	-	Target : CHEMBL235
ChEMBL	Activity	-		TGFBR2	-	Target : CHEMBL4267

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