Compound	Annomuricine E
NPACT-Id	NPACT00264
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
Synonyms	Annomuricin E [MeSH: annomuricin E ;(2S)-2-methyl-4-[(2R,13R)-2,8,9,13-tetrahydroxy-13-[5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]tridecyl]-2H-furan-5-one ;2(5H)-Furanone, 5-methyl-3-((2R,13R)-2,8,9,13-tetrahydroxy-13-((2R,5R)-tetrahydro-5-((1R)-1-hydroxytridecyl)-2-furanyl)tridecyl)-
PubChem Id	3083520
Class	Polyketides
In-vitro anticancer activity	6 cancer cell lines
In-Vivo anticancer activity	No
Targets	No targets found
Properties	Physical Elemental Topological
InChi Key	LPDLLEWSLYZCOC-QCOIHMLWSA-N
InChi	1S/C35H64O8/c1-3-4-5-6-7-8-9-10-11-14-19-31(39)33-22-23-34(43-33)32(40)21-16-20-30(38)29(37)18-15-12-13-17-28(36)25-27-24-26(2)42-35(27)41/h24,26,28-34,36-40H,3-23,25H2,1-2H3/t26-,28+,29?,30?,31+,32+,33?,34?/m0/s1
SMILES	O1[C@H](CC[C@H]1[C@H](O)CCCCCCCCCCCC)[C@H](O)CCC[C@@H](O)[C@H](O)CCCCC[C@@H](O)CC1=C[C@@H](OC1=O)C
SMART	[H]O[C@@]([H])(C([H])([H])C1=C([H])[C@@]([H])(OC1=O)C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(O[H])[C@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(O[H])[C@]1([H])O[C@@]([H])(C([H])([H])C1([H])[H])[C@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CAS No.	205303-64-6
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	-
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	ABI Chem,
Drug-Likeliness Filters	Lipinski's rule of five	No
	Ghose filter	No
	Veber filter	No
	Muegge Filter	No
Similarity Search	Human metabolite database	FDA approved drugs

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