Tan Lab | DSigDB

Gene Set: D4 : CTD - bergamottin

Collection

D4 : CTD

Chemical Name

bergamottin ( From PubChem : BERGAMOTTIN )

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

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
338.397 g/mol	0	4	5.6107	False(3/4)

Structure

InChI

InChI=1S/C21H22O4/c1-14(2)5-4-6-15(3)9-11-24-21-16-7-8-20(22)25-19(16)13-18-17(21)10-12-23-18/h5,7-10,12-13H,4,6,11H2,1-3H3/b15-9+

InChIKey

Links

Gene (19 / 25)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
CTD	increases(activity)			AHR		C068337
CTD	decreases(expression)			CD74		C068337
CTD	decreases(reaction)			CYP1B1		C068337
CTD	increases(oxidation)			CYP1B1		C068337
CTD	decreases(activity)			CYP1B1		C068337
CTD	decreases(activity)			CYP2B6		C068337
CTD	decreases(activity)			CYP3A4		C068337
CTD	increases(activity)			NR1I2		C068337
CTD	increases(activity)			NR1I3		C068337
CTD	increases(glucuronidation)			UGT1A1		C068337
CTD	increases(glucuronidation)			UGT1A10		C068337
CTD	increases(glucuronidation)			UGT1A7		C068337
CTD	increases(glucuronidation)			UGT1A8		C068337
CTD	increases(glucuronidation)			UGT1A9		C068337
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	0.010	CYP2C19	-	GI(Protien) :
PubChem	Potency	uM	0.032	CYP2C9	-	GI(Protien) :
PubChem	Potency	uM	0.063	CYP2D6	-	GI(Protien) :
PubChem	None	uM		DRD1	-	GI(Protien) :
PubChem	Potency	uM	12.589	TSHR	-	GI(Protien) :
ChEMBL	Inhibition	-		BACE1	-	Target : CHEMBL4822
ChEMBL	Potency	nM	10.000	CYP2C19	-	Target : CHEMBL3622
ChEMBL	Potency	nM	31.600	CYP2C9	-	Target : CHEMBL3397
ChEMBL	Potency	nM	63.100	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	12589.300	TSHR	-	Target : CHEMBL1963

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