Pelargonidin-3,5-diglucoside | MMP-AC0155

	Compound Name :	Pelargonidin-3,5-diglucoside
	Compound Class :	Flavonoid
	Synonyms :	Pelargonin chloride; UNII-4OJV6238UJ; 4OJV6238UJ; Punicin; 17334-58-6;
	Compound Extracted from :	Pelargonidin-3,5-diglucoside is extracted / reported from 2 Plant(s) of Melghat Flora as below MS053: Woodfordia fruticosa (L.) Kurz; MS075: Martynia annua L.;

	Molecular Formula :	C27H31ClO15
	Molecular Weight :	631
	InChi Key :	DIRROHKULXIUCB-DHJOXOLYSA-N
	IUPAC :	(2S,3R,4S,5S,6R)-2-[7-hydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;chloride
	InChi :	InChI=1S/C27H30O15.ClH/c28-8-17-19(32)21(34)23(36)26(41-17)39-15-6-12(31)5-14-13(15)7-16(25(38-14)10-1-3-11(30)4-2-10)40-27-24(37)22(35)20(33)18(9-29)42-27;/h1-7,17-24,26-29,32-37H,8-9H2,(H-,30,31);1H/t17-,18-,19-,20-,21+,22+,23-,24-,26-,27-;/m1./s1
	Hydrogen Bond Donor count :	10
	Hydrogen Bond Acceptor count :	15
	Rotational Bond count :	7
	TPSA :	240
	LogP Value :	-

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

	PubChem CID :	167642
	Drugbank ID :	-
	Super Natural :	-
	CTD :	C082179
	HIT :	-
	NCI-60 GI50 data :	-

	Reference(s) :	https://www.ncbi.nlm.nih.gov/pubmed/30305991

Compound_ID	Cell Lines	Cancer Type	IC50 Value	EC50 Value	ED50 Value	GI50 Value	References
MMP-AC0155	HL-60	Haematopoietic and Lymphoid tissue	32.3 然	-	-	-	18460339

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

MMP-AC0155 : Pelargonidin-3,5-diglucoside