Compound	Ixocarpalactone A
NPACT-Id	NPACT00686
IUPAC	-
Synonyms	-
PubChem Id	327287
Class	Steroids
In-vitro anticancer activity	7 cancer cell lines
In-Vivo anticancer activity	No
Targets	E2F1 \| TFDP1 \| All \|
Properties	Physical Elemental Topological
InChi Key	PHBPDHFIJFLEGD-UHFFFAOYSA-N
InChi	1S/C28H40O8/c1-12-13(2)24(33)35-21(12)23(32)27(5,34)22-17(29)11-16-14-10-20-28(36-20)19(31)7-6-18(30)26(28,4)15(14)8-9-25(16,22)3/h6-7,12-17,19-23,29,31-32,34H,8-11H2,1-5H3
SMILES	O1[C@@]23[C@]([C@@H]4[C@@H]([C@H]5[C@@]([C@@H]([C@H](O)C5)[C@@](O)([C@@H](O)[C@@H]5OC(=O)[C@@H]([C@H]5C)C)C)(CC4)C)C[C@@H]12)(C)C(=O)C=C[C@@H]3O
SMART	[H]O[C@@]([H])([C@]1([H])OC(=O)[C@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])[H])[C@@](O[H])(C([H])([H])[H])[C@]1([H])[C@]([H])(O[H])C([H])([H])[C@@]2([H])[C@@]3([H])C([H])([H])[C@@]4([H])O[C@]44[C@@]([H])(O[H])C([H])=C([H])C(=O)[C@]4(C([H])([H])[H])[C@@]3([H])C([H])([H])C([H])([H])[C@]12C([H])([H])[H]
CAS No.	71801-45-1
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C516621
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	ABI Chem,
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