Compound	Asimin
NPACT-Id	NPACT00293
IUPAC	(2S)-4-[(13R)-13-[(5R)-5-[(2R,5R)-5-[(1R,5S)-1,5-dihydroxyundecyl]oxolan-2-yl]oxolan-2-yl]-13-hydroxytridecyl]-2-methyl-2H-furan-5-one
Synonyms	(2R-(2alpha(2'R,5'R(R)),5beta(1(S),8R,13R)))-3-(8,13-Dihydroxy-13-(octahydro-5'-(1-hydroxyundecyl)(2,2'-bifuran)-5-yl)tridecyl)-5-ethyl-2(5H)-furanone
PubChem Id	44150066
Class	Polyketides
In-vitro anticancer activity	3 cancer cell lines
In-Vivo anticancer activity	No
Targets	No targets found
Properties	Physical Elemental Topological
InChi Key	ZKPIIYAYSXXUDC-UHFFFAOYSA-N
InChi	1S/C37H66O7/c1-3-4-5-6-7-8-12-15-21-31(39)33-23-25-35(43-33)36-26-24-34(44-36)32(40)22-17-16-20-30(38)19-14-11-9-10-13-18-29-27-28(2)42-37(29)41/h27-28,30-36,38-40H,3-26H2,1-2H3
SMILES	O1[C@@H]([C@@H]2O[C@@H](CC2)[C@@H](O)CCCCCCCCCC)CC[C@H]1[C@@H](O)CCCC[C@@H](O)CCCCCCCC1=C[C@H](OC1=O)C
SMART	[H]O[C@@]([H])(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([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])(O[H])[C@@]1([H])O[C@]([H])(C([H])([H])C1([H])[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])[H]
CAS No.	156162-01-5
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C088264
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	NA,
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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Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase

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