Cucurbitacin | MMP-AC0045

	Compound Name :	Cucurbitacin
	Compound Class :	Terpenoids
	Synonyms :	Cucurbitacin A; 6040-19-3; UNII-83859MTO77; NSC94743; NSC 94743;
	Compound Extracted from :	Cucurbitacin is extracted / reported from 5 Plant(s) of Melghat Flora as below MC016: Coccinia grandis (L.) Voigt; MC034: Cucumis prophetarum L.; MH082: Cucumis melo L.; MH176: Bacopa monnieri (L.) Pennell.; MS016: Helicteres isora L.;

	Molecular Formula :	C32H46O9
	Molecular Weight :	574.7
	InChi Key :	IHTCCHVMPGDDSL-IVNGUWCNSA-N
	IUPAC :	[(E,6R)-6-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-9-(hydroxymethyl)-4,4,13,14-tetramethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate
	InChi :	InChI=1S/C32H46O9/c1-17(34)41-27(2,3)12-11-23(37)31(8,40)25-21(36)14-29(6)22-10-9-18-19(13-20(35)26(39)28(18,4)5)32(22,16-33)24(38)15-30(25,29)7/h9,11-12,19-22,25,33,35-36,40H,10,13-16H2,1-8H3/b12-11+/t19-,20+,21-,22+,25+,29+,30-,31+,32+/m1/s1
	Hydrogen Bond Donor count :	4
	Hydrogen Bond Acceptor count :	9
	Rotational Bond count :	7
	TPSA :	158
	LogP Value :	2

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

	PubChem CID :	5281315
	Drugbank ID :	-
	Super Natural :	-
	CTD :	-
	HIT :	-
	NCI-60 GI50 data :	6040-19-3

	Reference(s) :	https://www.ncbi.nlm.nih.gov/pubmed/19348465

Compound_ID	Cell Lines	Cancer Type	IC50 Value	EC50 Value	ED50 Value	GI50 Value	References
MMP-AC0045	MDA-MB-468	Breast	0.86 µM	-	-	-	15735720
MMP-AC0045	A549	Lung	1.5±0.7 µM	-	-	-	15735720
MMP-AC0045	MDA-MB-435	Skin	0.65±0.05 µM	-	-	-	15735720

Compound_ID	Target	Gene_Name	Gene_ID	Cancer	Cell_lines	IC50 Value	EC50 Value	ED50 Value	GI50 Value	Remarks	References
MMP-AC0045	JAK2	Janus kinase 2	3717	Lung adenocarcinoma	A549	1.5±0.7 µM	-	-	-	Cuc A suppressed the levels of P-JAK2 in A549 cells.	15735720
MMP-AC0045	JAK2	Janus kinase 2	3717	Breast Carcinoma	MDA-MB-453	0.65±0.05	-	-	-	Cucurbitacin A suppressed the levels of P-JAK.	15735720

MMP-AC0045 : Cucurbitacin