Chlorogenic acid | MMP-AC0177

	Compound Name :	Chlorogenic acid
	Compound Class :	Tannin
	Synonyms :	CHLOROGENIC ACID; 327-97-9; 3-O-Caffeoylquinic acid; Heriguard; Chlorogenate;
	Compound Extracted from :	Chlorogenic acid is extracted / reported from 14 Plant(s) of Melghat Flora as below MC018: Diplocyclos palmatus; MH024: Corchorus olitorius L.; MH067: Vigna radiata (L.) R. Wilczek; MH082: Cucumis melo L.; MH140: Xanthium strumarium L.; MH159: Convolvulus arvensis L; MH217: Stachytarpheta jamaicensis (L.) Vahl ; MH249: Rumex dentatus L.; MH287: Solanum virginianum L. ; MH356: Apium graveolens Linn.; MS035: Desmodium gangeticum (L.) DC.; MS073: Solanum incanum L.; MT025: Lannea coromandelica (Houtt.) Merr.; MT068: Cordia dichotoma Forster. f., Prodr.;

	Molecular Formula :	C16H18O9
	Molecular Weight :	354.31
	InChi Key :	CWVRJTMFETXNAD-JUHZACGLSA-N
	IUPAC :	(1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid
	InChi :	InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1
	Hydrogen Bond Donor count :	6
	Hydrogen Bond Acceptor count :	9
	Rotational Bond count :	3
	TPSA :	165
	LogP Value :	-0.4

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

	PubChem CID :	1794427
	Drugbank ID :	DB12029
	Super Natural :	000327979
	CTD :	D002726
	HIT :	C0442
	NCI-60 GI50 data :	-

	Reference(s) :	https://pubchem.ncbi.nlm.nih.gov/compound/1794427

Compound_ID	Cell Lines	Cancer Type	IC50 Value	EC50 Value	ED50 Value	GI50 Value	References
MMP-AC0177	L6		>90 痢/ml	-	-	-	15326547

Compound_ID	Target	Gene_Name	Gene_ID	Cancer	Cell_lines	IC50 Value	EC50 Value	ED50 Value	GI50 Value	Remarks	References
MMP-AC0177	GSTM1	glutathione S-transferase mu 1	2944	Murine epidermal	JB6	-	-	-	-	Chlorogenic acid moderately increased glutathione S-transferases enzymatic activities in a dose dependent manner. After treatment of JB6 cells with chlorogenic acid at 40 and 80 M, glutathione S-transferases activities increased by 46.8%.	15944151
MMP-AC0177	JUN	jun proto-oncogene	3725	Murine epidermal	JB6	-	-	-	-	Pretreatment of cells with chlorogenic acid markedly inhibited TPA-induced AP-1 and NF-kappaB activity over a similar concentration range . At a concentration of 40 然 chlorogenic acid, TPA-induced AP-1 activation was suppressed by 30%.	15944151
MMP-AC0177	MAPK1	mitogen-activated protein kinase 1	5594	Murine epidermal	JB6	-	-	-	-	At low concentrations, chlorogenic acid decreased the phosphorylation p38 kinase.	15944151
MMP-AC0177	NFKB1	nuclear factor of kappa light polypeptide gene enhancer in B-cells 1	4790	Murine epidermal	JB6	-	-	-	-	Pretreatment of cells with chlorogenic acid markedly inhibited TPA-induced AP-1 and NF-kappaB activity over a similar concentration range . At a concentration of 40 然 chlorogenic acid, TPA-induced NF-kappaB activation was suppressed by 42%.	15944151
MMP-AC0177	NQO1	NAD(P)H dehydrogenase, quinone 1	1728	Murine epidermal	JB6	-	-	-	-	Chlorogenic acid moderately increased NQO1 activities in a dosedependent manner. After treatment of JB6 cells with chlorogenic acid at 40 and 80 M, NQO1 activities increased by 47.1%.	15944151

MMP-AC0177 : Chlorogenic acid