a a

Compound	Philadelphicalactone A
NPACT-Id	NPACT00859
IUPAC	-
Synonyms	-
PubChem Id	11038269
Class	Steroids
In-vitro anticancer activtiy	3 cancer cell lines
In-Vivo anticancer activtiy	No
Targets	NQO1 \| All \|
Properties	Physical Elemental Topological
InChi Key	ODFGLJQOCBLUPX-HRWIZJFJSA-N
InChi	1S/C28H40O7/c1-14-12-21(34-23(31)15(14)2)26(5,32)27(33)11-9-17-16-13-22-28(35-22)20(30)7-6-19(29)25(28,4)18(16)8-10-24(17,27)3/h6-7,14-18,20-22,30,32-33H,8-13H2,1-5H3/t14-,15+,16-,17-,18-,20-,21?,22+,24-,25-,26-,27+,28+/m0/s1
SMILES	O1[C@@]23[C@]([C@@H]4[C@H]([C@H]5[C@@]([C@](O)(CC5)[C@@](O)([C@H]5OC(=O)[C@@H]([C@H](C5)C)C)C)(CC4)C)C[C@@H]12)(C)C(=O)C=C[C@@H]3O
SMART	[H]O[C@@]1([H])C([H])=C([H])C(=O)[C@]2(C([H])([H])[H])[C@@]3([H])C([H])([H])C([H])([H])[C@@]4(C([H])([H])[H])[C@@]([H])(C([H])([H])C([H])([H])[C@]4(O[H])[C@](O[H])(C([H])([H])[H])[C@@]4([H])OC(=O)[C@]([H])(C([H])([H])[H])[C@@]([H])(C([H])([H])[H])C4([H])[H])[C@]3([H])C([H])([H])[C@@]3([H])O[C@@]123
CAS No.	-
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	-
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	NA,
Drug-Likeliness Filters	Lipinski's rule of five	Yes
	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