Compound	Ergolide
NPACT-Id	NPACT00552
IUPAC	[(3aS,5R,5aS,8aR,9S,9aR)-5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,6,7,9,9a-octahydroazuleno[6,5-b]furan-9-yl] acetate
Synonyms	-
PubChem Id	185786
Class	Terpenoids
In-vitro anticancer activity	6 cancer cell lines
In-Vivo anticancer activity	No
Targets	BAX \| BCL2 \| CASP3 \| CYCS \| NFKB1 \| PARP1 \| XIAP \| All \|
Properties	Physical Elemental Topological
InChi Key	JCDZXDWMCKMXFF-MMLVVLEOSA-N
InChi	1S/C17H22O5/c1-8-7-12-14(9(2)16(20)22-12)15(21-10(3)18)17(4)11(8)5-6-13(17)19/h8,11-12,14-15H,2,5-7H2,1,3-4H3/t8-,11+,12+,14-,15+,17+/m1/s1
SMILES	O([C@@H]1[C@]2([C@H]([C@@H](C[C@@H]3OC(=O)C(=C)[C@@H]13)C)CCC2=O)C)C(=O)C
SMART	[H]C([H])=C1C(=O)O[C@@]2([H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@]3([H])C([H])([H])C([H])([H])C(=O)[C@@]3(C([H])([H])[H])[C@@]([H])(OC(=O)C([H])([H])[H])[C@]12[H]
CAS No.	6336-17-0
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C099797
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	AAA Chemistry, ABI Chem, Kingston Chemistry,
Drug-Likeliness Filters	Lipinski's rule of five	Yes
	Ghose filter	Yes
	Veber filter	Yes
	Muegge Filter	Yes
Similarity Search	Human metabolite database	FDA approved drugs

NPACT

Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase