Nectandrin B | MMP-AC0204

	Compound Name :	Nectandrin B
	Compound Class :	Lignans
	Synonyms :	Nectandrin B nectandrin-B 74683-16-2 Calophyllin Malabaricanol
	Compound Extracted from :	Nectandrin B is extracted / reported from 1 Plant(s) of Melghat Flora as below MH221: Leucas aspera (Willd.) Link;

	Molecular Formula :	C20H24O5
	Molecular Weight :	344.4
	InChi Key :	GMXMKSFJQLFOSO-JARDSOJUSA-N
	IUPAC :	4-[(2S,3S,4R,5R)-5-(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol
	InChi :	InChI=1S/C20H24O5/c1-11-12(2)20(14-6-8-16(22)18(10-14)24-4)25-19(11)13-5-7-15(21)17(9-13)23-3/h5-12,19-22H,1-4H3/t11-,12+,19-,20+
	Hydrogen Bond Donor count :	2
	Hydrogen Bond Acceptor count :	5
	Rotational Bond count :	4
	TPSA :	68.2
	LogP Value :	3.7

	Lipinski Rule of Five :	YES
	Ghose Filter :	YES
	Veber Filter :	YES
	Muegge Filter :	YES

	PubChem CID :	156517
	Drugbank ID :	-
	Super Natural :	-
	CTD :	-
	HIT :	-
	NCI-60 GI50 data :	-

	Reference(s) :	https://pubchem.ncbi.nlm.nih.gov/compound/156517#section=Computed-Properties

Compound_ID	Cell Lines	Cancer Type	IC50 Value	EC50 Value	ED50 Value	GI50 Value	References
MMP-AC0204	MCF-7	Breast	11.3 然	-	-	-	15554262
MMP-AC0204	MCF-7	Breast	>100 然	-	-	-	15256759
MMP-AC0204	HCT-15	Colon	>50 然	-	-	-	15554262
MMP-AC0204	HT-29	Colon	>100 然	-	-	-	15256759
MMP-AC0204	A549	Lung	40.3 然	-	-	-	15554262

Compound_ID	Target	Gene_Name	Gene_ID	Cancer	Cell_lines	IC50 Value	EC50 Value	ED50 Value	GI50 Value	Remarks	References
MMP-AC0204	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-AC0204	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-AC0204	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-AC0204 : Nectandrin B