Lutein | MMP-AC0197

	Compound Name :	Lutein
	Compound Class :	Terpenoids
	Synonyms :	Lutein XANTHOPHYLL 127-40-2 Bo-Xan Vegetable lutein
	Compound Extracted from :	Lutein is extracted / reported from 2 Plant(s) of Melghat Flora as below MH085: Glinus oppositifolius (L.) Aug.DC.; MT037: Bauhinia purpurea L.;

	Molecular Formula :	C40H56O2
	Molecular Weight :	568.9
	InChi Key :	KBPHJBAIARWVSC-RGZFRNHPSA-N
	IUPAC :	(1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,4R)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol
	InChi :	InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-25,35-37,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36+,37-/m0/s1
	Hydrogen Bond Donor count :	2
	Hydrogen Bond Acceptor count :	2
	Rotational Bond count :	10
	TPSA :	40.5
	LogP Value :	11

	Lipinski Rule of Five :	NO
	Ghose Filter :	NO
	Veber Filter :	YES
	Muegge Filter :	NO

	PubChem CID :	5281243
	Drugbank ID :	DB00137
	Super Natural :	-
	CTD :	D014975
	HIT :	C0432
	NCI-60 GI50 data :	127-40-2

	Reference(s) :	https://pubchem.ncbi.nlm.nih.gov/compound/5281243#section=Chemical-and-Physical-Properties

Compound_ID	Cell Lines	Cancer Type	IC50 Value	EC50 Value	ED50 Value	GI50 Value	References
MMP-AC0197	KB	Nasopharyngeal	61.0 µMol/L (48hr)	-	-	-	17392148
MMP-AC0197	KB	Nasopharyngeal	53.5 µMol/L (72hr)	-	-	-	17392148

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

MMP-AC0197 : Lutein