Compound	Cucurbitacin E
NPACT-Id	NPACT00451
IUPAC	17-[(E)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one
Synonyms	alpha-Elaterine
PubChem Id	5353547
Class	Terpenoids
In-vitro anticancer activity	1 cancer cell lines
In-Vivo anticancer activity	No
Targets	No targets found
Properties	Physical Elemental Topological
InChi Key	NDYMQXYDSVBNLL-OUKQBFOZSA-N
InChi	1S/C32H44O8/c1-17(33)40-27(2,3)13-12-23(36)32(9,39)25-21(35)15-29(6)22-11-10-18-19(14-20(34)26(38)28(18,4)5)31(22,8)24(37)16-30(25,29)7/h10,12-14,19,21-22,25,34-35,39H,11,15-16H2,1-9H3/b13-12+
SMILES	O[C@H]1[C@@H]([C@@]2([C@@]([C@@H]3[C@](C(=O)C2)([C@@H]2C(=CC3)C(C(=O)C(=C2)O)(C)C)C)(C1)C)C)[C@@](O)(C)C(=O)/C=C/C(OC(=O)C)(C)C
SMART	[H]OC1=C([H])[C@@]2([H])C(=C([H])C([H])([H])[C@@]3([H])[C@@]2(C(=O)C([H])([H])[C@]2(C([H])([H])[H])[C@]([H])([C@]([H])(O[H])C([H])([H])[C@]32C([H])([H])[H])[C@](O[H])(C(=O)C([H])=C(/[H])[C@](OC(=O)C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])[C@@](C1=O)(C([H])([H])[H])C([H])([H])[H]
CAS No.	18444-66-1
Structure Download
Cross Refrence in other databases
	Super Natural	018444661
	CTD	C102326
	HIT	-
	NCI-60 GI₅₀ data	18444-66-1
Suppliers	AAA Chemistry, ABI Chem, Ambinter,
Drug-Likeliness Filters	Lipinski's rule of five	No
	Ghose filter	No
	Veber filter	Yes
	Muegge Filter	Yes
Similarity Search	Human metabolite database	FDA approved drugs

NPACT

Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase