Psoralen | MMP-AC0214

	Compound Name :	Psoralen
	Compound Class :	Benzopyranoids
	Synonyms :	Ficusin; Psoralen; Psoralene
	Compound Extracted from :	Psoralen is extracted / reported from 4 Plant(s) of Melghat Flora as below MH061: Psoralea corylifolia L.; MT013: Aegle marmelos L.; MT085: Ficus benghalensis L.; MT118: Limonia acidissima Linn.;

	Molecular Formula :	C11H6O3
	Molecular Weight :	186.16
	InChi Key :	ZCCUUQDIBDJBTK-UHFFFAOYSA-N
	IUPAC :	furo[3,2-g]chromen-7-one
	InChi :	InChI=1S/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H
	Hydrogen Bond Donor count :	0
	Hydrogen Bond Acceptor count :	3
	Rotational Bond count :	0
	TPSA :	39.4
	LogP Value :	2.3

	Lipinski Rule of Five :	Yes
	Ghose Filter :	Yes
	Veber Filter :	Yes
	Muegge Filter :	No

	PubChem CID :	6199
	Drugbank ID :	DB18665
	Super Natural :	000066977
	CTD :	D011564
	HIT :	C0467
	NCI-60 GI50 data :	-

	Reference(s) :	https://pubchem.ncbi.nlm.nih.gov/compound/6199

Compound_ID	Cell Lines	Cancer Type	IC50 Value	EC50 Value	ED50 Value	GI50 Value	References
MMP-AC0214	K-562	Haematopoietic and Lymphoid tissue	24.40 痢/ml	-	-	-	19131395
MMP-AC0214	K562/ADM	Haematopoietic and Lymphoid tissue	62.60 痢/ml	-	-	-	19131395
MMP-AC0214	KB	Nasopharyngeal	88.10 痢/ml	-	-	-	19131395
MMP-AC0214	KBv200	Nasopharyngeal	86.60 痢/ml	-	-	-	19131395
MMP-AC0214	JB6	Skin	17.1 痢/ml	-	-	-	21468912

Compound_ID	Target	Gene_Name	Gene_ID	Cancer	Cell_lines	IC50 Value	EC50 Value	ED50 Value	GI50 Value	Remarks	References
MMP-AC0214	NQO1	NAD(P)H dehydrogenase, quinone 1	1728	murine hepatoma cell	Hepa 1c1c7	-	-	-	-	psoralen significantly appeared 187% induction of QR activity compared to control without cytotoxicity at the concentration of 20 痢/mL and the concentration of 1.5 fold QR induction (1.5 FIC) of psoralen was 14.8 痢/mL.	21468912
MMP-AC0214	ODC1	ornithine decarboxylase 1	4953	Bladder Cancer	T24	-	-	-	-	psoralen significantly decreased by 63% and 41% on ODC activity compared to control without cytotoxicity at the concentration of 10 and 20 痢/mL, respectively and the half -maximal inhibition concentration (IC50) of psoralen was 15.6 痢/mL.	21468912

MMP-AC0214 : Psoralen