Compound	Bullatacin
NPACT-Id	NPACT00355
IUPAC	(3S,5R)-5-[(11R)-11-hydroxy-11-[(2R,5R)-5-[(2R,5R)-5-[(1S)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]undecyl]-3-(2-oxopropyl)oxolan-2-one
Synonyms	-
PubChem Id	6712244
Class	Polyketides
In-vitro anticancer activity	2 cancer cell lines
In-Vivo anticancer activity	Yes
Targets	CASP3 \| CASP9 \| CYCS \| NOX1 \| ODC1 \| All \|
Properties	Physical Elemental Topological
InChi Key	MBABCNBNDNGODA-MWEJZUJISA-N
InChi	1S/C37H66O7/c1-3-4-5-6-7-11-14-17-20-31(39)33-22-24-35(43-33)36-25-23-34(44-36)32(40)21-18-15-12-9-8-10-13-16-19-30(38)27-29-26-28(2)42-37(29)41/h26,28,30-36,38-40H,3-25,27H2,1-2H3/t28?,30?,31-,32+,33+,34+,35+,36+/m1/s1
SMILES	O1[C@H]([C@H]2O[C@@H](CC2)[C@H](O)CCCCCCCCCC)CC[C@H]1[C@@H](O)CCCCCCCCCC[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])([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.	-
Structure Download
Cross Refrence in other databases
	Super Natural	102989242
	CTD	C061022
	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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Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase

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