Isorhamnetin 3-O-beta-D-glucopyranoside

	Compound Name :	Isorhamnetin 3-O-beta-D-glucopyranoside
	Compound Class :	Flavonoid
	Synonyms :	Isorhamnetin-3-O-beta-D-Glucoside; Isorhamnetin 3-galactoside; Isorhamnetin 3-O-galactoside; 6743-92-6; MEGxp0_000451;
	Compound Extracted from :	Isorhamnetin 3-O-beta-D-glucopyranoside is extracted / reported from 2 Plant(s) of Melghat Flora as below MH413: Melilotus indica (L.) All.; MT039: Bauhinia variegata L.;

	Molecular Formula :	C22H22O12
	Molecular Weight :	478.4
	InChi Key :	CQLRUIIRRZYHHS-UHFFFAOYSA-N
	IUPAC :	5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
	InChi :	InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3
	Hydrogen Bond Donor count :	7
	Hydrogen Bond Acceptor count :	12
	Rotational Bond count :	5
	TPSA :	196
	LogP Value :	0.7

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

	PubChem CID :	13245586
	Drugbank ID :	-
	Super Natural :	-
	CTD :	-
	HIT :	-
	NCI-60 GI50 data :	-

	Reference(s) :	https://www.ncbi.nlm.nih.gov/pubmed/22870812

Compound_ID	Cell Lines	Cancer Type	IC50 Value	EC50 Value	ED50 Value	GI50 Value	References
MMP-AC0134	Colo-205	Colon	>200 µM	-	-	-	17475387
MMP-AC0134	Jurkat	Haematopoietic and Lymphoid tissue	45.6±1.3 µM	-	-	-	17475387
MMP-AC0134	Hep G2	Liver	>200 µM	-	-	-	17475387
MMP-AC0134	PC-3	Prostate	>200 µM	-	-	-	17475387

Compound_ID	Target	Gene_Name	Gene_ID	Cancer	Cell_lines	IC50 Value	EC50 Value	ED50 Value	GI50 Value	Remarks	References

MMP-AC0134 : Isorhamnetin 3-O-beta-D-glucopyranoside