Praecansone B | MMP-AC0094

	Compound Name :	Praecansone B
	Compound Class :	Flavonoid
	Synonyms :	praecansone B; CHEMBL509929; LMPK12120390;
	Compound Extracted from :	Praecansone B is extracted / reported from 1 Plant(s) of Melghat Flora as below MH065: Tephrosia pumila (Lam.)Pers.;

	Molecular Formula :	C22H22O5
	Molecular Weight :	366.4
	InChi Key :	TUJSKSRZFNAELN-VBKFSLOCSA-N
	IUPAC :	(Z)-1-(5,7-dimethoxy-2,2-dimethylchromen-6-yl)-3-hydroxy-3-phenylprop-2-en-1-one
	InChi :	InChI=1S/C22H22O5/c1-22(2)11-10-15-18(27-22)13-19(25-3)20(21(15)26-4)17(24)12-16(23)14-8-6-5-7-9-14/h5-13,23H,1-4H3/b16-12-
	Hydrogen Bond Donor count :	1
	Hydrogen Bond Acceptor count :	5
	Rotational Bond count :	5
	TPSA :	65
	LogP Value :	4.5

	Lipinski Rule of Five :	Yes
	Ghose Filter :	Yes
	Veber Filter :	Yes
	Muegge Filter :	Yes

	PubChem CID :	10090306
	Drugbank ID :	-
	Super Natural :	-
	CTD :	C541866
	HIT :	-
	NCI-60 GI50 data :	-

	Reference(s) :	https://www.ncbi.nlm.nih.gov/pubmed/19306481

Compound_ID	Cell Lines	Cancer Type	IC50 Value	EC50 Value	ED50 Value	GI50 Value	References
MMP-AC0094	Hepa 1c1c7	Liver	6.5 痢/ml	-	-	-	14510596

Compound_ID	Target	Gene_Name	Gene_ID	Cancer	Cell_lines	IC50 Value	EC50 Value	ED50 Value	GI50 Value	Remarks	References
MMP-AC0094	NQO1	NAD(P)H dehydrogenase, quinone 1	1728	murine hepatoma cell	Hepa 1c1c7	6.5 痢/mL	-	-	-	The compound was shown to alter the quinone reductase activity.	14510596

MMP-AC0094 : Praecansone B