Compound	Squamocin
NPACT-Id	NPACT00955
IUPAC	4-[13-hydroxy-13-[5-[5-(6-methyldodecan-2-yl)oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one
Synonyms	2(5H)-Furanone, 3-(13-(5'-(1,5-dimethylundecyl)octahydro(2,2'-bifuran)-5-yl)-13-hydroxytridecyl)-5-methyl-;4-[13-hydroxy-13-[5-[5-(6-methyldodecan-2-yl)oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one
PubChem Id	129116
Class	Polyketides
In-vitro anticancer activity	7 cancer cell lines
In-Vivo anticancer activity	No
Targets	AURKB \| BAD \| BAX \| CASP3 \| CASP8 \| CASP9 \| MAPK1 \| MAPK8 \| PARP1 \| RPS6KA5 \| All \|
Properties	Physical Elemental Topological
InChi Key	YDALDJGZOJJJLD-UHFFFAOYSA-N
InChi	1S/C39H70O5/c1-5-6-7-16-20-30(2)21-19-22-31(3)35-25-27-37(43-35)38-28-26-36(44-38)34(40)24-18-15-13-11-9-8-10-12-14-17-23-33-29-32(4)42-39(33)41/h29-32,34-38,40H,5-28H2,1-4H3
SMILES	O1[C@H]([C@@H]2O[C@@H](CC2)[C@@H](O)CCCCCCCCCCCCC2=C[C@H](OC2=O)C)CC[C@H]1[C@@H](CCC[C@@H](CCCCCC)C)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])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@@]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])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CAS No.	120298-30-8
Structure Download
Cross Refrence in other databases
	Super Natural	120298308
	CTD	C059660
	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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