Aucubin | MMP-AC0171

	Compound Name :	Aucubin
	Compound Class :	Terpenoids
	Synonyms :	Aucubin; 479-98-1; Aucuboside; rhinanthin; UNII-2G52GS8UML;
	Compound Extracted from :	Aucubin is extracted / reported from 1 Plant(s) of Melghat Flora as below MS128: Vitex trifolia L.;

	Molecular Formula :	C15H22O9
	Molecular Weight :	346.33
	InChi Key :	RJWJHRPNHPHBRN-FKVJWERZSA-N
	IUPAC :	(2S,3R,4S,5S,6R)-2-[[(1S,4aR,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
	InChi :	InChI=1S/C15H22O9/c16-4-6-3-8(18)7-1-2-22-14(10(6)7)24-15-13(21)12(20)11(19)9(5-17)23-15/h1-3,7-21H,4-5H2/t7-,8+,9+,10+,11+,12-,13+,14-,15-/m0/s1
	Hydrogen Bond Donor count :	6
	Hydrogen Bond Acceptor count :	9
	Rotational Bond count :	4
	TPSA :	149
	LogP Value :	-3

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

	PubChem CID :	91458
	Drugbank ID :	-
	Super Natural :	000479981
	CTD :	C006650
	HIT :	C0260
	NCI-60 GI50 data :	-

	Reference(s) :	https://pubchem.ncbi.nlm.nih.gov/compound/91458

Compound_ID	Cell Lines	Cancer Type	IC50 Value	EC50 Value	ED50 Value	GI50 Value	References
MMP-AC0171	(RBL)-2H3	Haematopoietic and Lymphoid tissue	0.19 痢/ml	-	-	-	12161100
MMP-AC0171	(RBL)-2H3	Haematopoietic and Lymphoid tissue	0.101 痢/ml	-	-	-	12161100

Compound_ID	Target	Gene_Name	Gene_ID	Cancer	Cell_lines	IC50 Value	EC50 Value	ED50 Value	GI50 Value	Remarks	References
MMP-AC0171	IL6	interleukin 6	3569	Basophilic leukemia	RBL-2H3	-	-	-	-	aucubin inhibited IL-6 production significantly from which it was presupposed that aucubin acts as the specific inhibitor of transcription factors.	12161100
MMP-AC0171	TNF	tumor necrosis factor	7124	Basophilic leukemia	RBL-2H3	-	-	-	-	aucubin inhibited TNF-alpha production significantly from which it was presupposed that aucubin acts as the specific inhibitor of transcription factors.	12161100

MMP-AC0171 : Aucubin