Annonacin | MMP-AC0168

	Compound Name :	Annonacin
	Compound Class :	Polyketides
	Synonyms :	Annonacin; 111035-65-5; (2S)-2-methyl-4-[(2R,8R,13R)-2,8,13-trihydroxy-13-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]tridecyl]-2H-furan-5-one; 40372ET6TM; NSC606194;
	Compound Extracted from :	Annonacin is extracted / reported from 1 Plant(s) of Melghat Flora as below MT001: Annona squamosa Linn;

	Molecular Formula :	C35H64O7
	Molecular Weight :	596.9
	InChi Key :	XNODZYPOIPVPRF-CGWDHHCXSA-N
	IUPAC :	(2S)-2-methyl-4-[(2R,8R,13R)-2,8,13-trihydroxy-13-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]tridecyl]-2H-furan-5-one
	InChi :	InChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-10-11-15-21-31(38)33-23-24-34(42-33)32(39)22-17-16-19-29(36)18-13-12-14-20-30(37)26-28-25-27(2)41-35(28)40/h25,27,29-34,36-39H,3-24,26H2,1-2H3/t27-,29+,30+,31+,32+,33+,34+/m0/s1
	Hydrogen Bond Donor count :	4
	Hydrogen Bond Acceptor count :	7
	Rotational Bond count :	26
	TPSA :	116
	LogP Value :	8.4

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

	PubChem CID :	354398
	Drugbank ID :	-
	Super Natural :	111035655
	CTD :	C053442
	HIT :	-
	NCI-60 GI50 data :	-

	Reference(s) :	https://pubchem.ncbi.nlm.nih.gov/compound/354398

Compound_ID	Cell Lines	Cancer Type	IC50 Value	EC50 Value	ED50 Value	GI50 Value	References
MMP-AC0168	T-47D	Breast	13 nM	-	-	-	20423107

Compound_ID	Target	Gene_Name	Gene_ID	Cancer	Cell_lines	IC50 Value	EC50 Value	ED50 Value	GI50 Value	Remarks	References
MMP-AC0168	HIF1A	hypoxia inducible factor 1	3091	Breast Carcinoma	T-47D	12 nM	-	-	-	Compound inhibited hypoxia-induced HIF-1 activation with IC50 values of 12nM.	20423107

MMP-AC0168 : Annonacin