Compound	Bruceantin
NPACT-Id	NPACT00344
IUPAC	-
Synonyms	-
PubChem Id	6434323
Class	Terpenoids
In-vitro anticancer activity	4 cancer cell lines
In-Vivo anticancer activity	No
Targets	NFKB1 \| All \|
Properties	Physical Elemental Topological
InChi Key	IRQXZTBHNKVIRL-XCDCPSHVSA-N
InChi	1S/C28H36O11/c1-11(2)12(3)7-17(30)39-20-22-27-10-37-28(22,25(35)36-6)23(33)19(32)21(27)26(5)9-15(29)18(31)13(4)14(26)8-16(27)38-24(20)34/h7,11,14,16,19-23,31-33H,8-10H2,1-6H3/b12-7+/t14-,16+,19+,20+,21+,22+,23-,26-,27+,28+/m0/s1
SMILES	O1[C@@]2([C@@H]3[C@@]4([C@H]([C@]5([C@@H](C[C@@H]4OC(=O)[C@H]3OC(=O)/C=C(/C(C)C)C)C(=C(O)C(=O)C5)C)C)[C@H](O)[C@@H]2O)C1)C(=O)OC
SMART	[#6]OC(=O)[C@]12OC[C@]34[C@H](C[C@H]5C([#6])=C(O)C(=O)C[C@@]5([#6])[C@@H]3[C@H](O)[C@@H]1O)OC(=O)[C@@H](OC(=O)C=C(/[#6])[C@@H]([#6])[#6])[C@H]24
CAS No.	41451-75-6
Structure Download
Cross Refrence in other databases
	Super Natural	041451756
	CTD	C002550
	HIT	-
	NCI-60 GI₅₀ data	41451-75-6
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

NPACT

Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase