Compound	Bullatacinone
NPACT-Id	NPACT00356
IUPAC	(2S)-4-[(13R)-13-hydroxy-13-[(2R,5R)-5-[(2R,5R)-5-[(1S,8R,9S)-1,8,9-trihydroxyundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one
Synonyms	-
PubChem Id	441557
Class	Polyketides
In-vitro anticancer activity	1 cancer cell lines
In-Vivo anticancer activity	No
Targets	NOX1 \| All \|
Properties	Physical Elemental Topological
InChi Key	KGGVWMAPBXIMEM-ZRTAFWODSA-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)21-18-15-12-9-8-10-13-16-19-30-27-29(26-28(2)38)37(41)42-30/h29-36,39-40H,3-27H2,1-2H3/t29-,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]1OC(=O)[C@@H](C1)CC(=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])C([H])([H])C([H])([H])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])(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@@]1([H])OC(=O)[C@]([H])(C([H])([H])C(=O)C([H])([H])[H])C1([H])[H]
CAS No.	123012-00-0
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C061021
	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

NPACT

Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase

Help

FAQs

Statistics

Tool

Contact