Meso-dihydroguaiaretic acid | MMP-AC0199

	Compound Name :	Meso-dihydroguaiaretic acid
	Compound Class :	Lignans
	Synonyms :	meso-dihydroguaiaretic acid Dihydroguaiaretic acid 66322-34-7 Dihydroguaiaretic acid, meso- S81Z40PSJ4
	Compound Extracted from :	Meso-dihydroguaiaretic acid is extracted / reported from 1 Plant(s) of Melghat Flora as below MH221: Leucas aspera (Willd.) Link;

	Molecular Formula :	C20H26O4
	Molecular Weight :	330.4
	InChi Key :	ADFOLUXMYYCTRR-OKILXGFUSA-N
	IUPAC :	4-[(2S,3R)-4-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol
	InChi :	InChI=1S/C20H26O4/c1-13(9-15-5-7-17(21)19(11-15)23-3)14(2)10-16-6-8-18(22)20(12-16)24-4/h5-8,11-14,21-22H,9-10H2,1-4H3/t13-,14+
	Hydrogen Bond Donor count :	2
	Hydrogen Bond Acceptor count :	4
	Rotational Bond count :	7
	TPSA :	58.9
	LogP Value :	5

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

	PubChem CID :	476856
	Drugbank ID :	-
	Super Natural :	-
	CTD :	C015816
	HIT :	-
	NCI-60 GI50 data :	-

	Reference(s) :	https://pubchem.ncbi.nlm.nih.gov/compound/476856#section=Computed-Properties

Compound_ID	Cell Lines	Cancer Type	IC50 Value	EC50 Value	ED50 Value	GI50 Value	References
MMP-AC0199	MCF-7	Breast	>50 然	-	-	-	15554262
MMP-AC0199	MCF-7	Breast	65.4 然	-	-	-	15256759
MMP-AC0199	HCT-15	Colon	>50 然	-	-	-	15554262
MMP-AC0199	HT-29	Colon	45.4 然	-	-	-	15256759
MMP-AC0199	A549	Lung	>50 然	-	-	-	15554262

Compound_ID	Target	Gene_Name	Gene_ID	Cancer	Cell_lines	IC50 Value	EC50 Value	ED50 Value	GI50 Value	Remarks	References
MMP-AC0199	PLCG1	phospholipase C, gamma 1	5335	Breast adenocarcinoma	MCF-7	-	-	-	-	It is suggested that inhibition of PLC gamma 1 by this compound may be an important mechanism for an antiproliferative effect on the human cancer cells.	15554262
MMP-AC0199	PLCG1	phospholipase C, gamma 1	5335	Colon Cancer	HCT-15	-	-	-	-	It is suggested that inhibition of PLC gamma 1 by this compound may be an important mechanism for an antiproliferative effect on the human cancer cells.	15554262
MMP-AC0199	PLCG1	phospholipase C, gamma 1	5335	Lung adenocarcinoma	A549	-	-	-	-	It is suggested that inhibition of PLC gamma 1 by this compound may be an important mechanism for an antiproliferative effect on the human cancer cells.	15554262

MMP-AC0199 : Meso-dihydroguaiaretic acid