a a

Compound	Polyphyllin I
NPACT-Id	NPACT00875
IUPAC	-
Synonyms	-
PubChem Id	397889
Class	Saponin
In-vitro anticancer activtiy	3 cancer cell lines
In-Vivo anticancer activtiy	Yes
Targets	BCL2 \| CASP3 \| All \|
Properties	Physical Elemental Topological
InChi Key	LRRDDWMXYOSKIC-NPCCIQSUSA-N
InChi	1S/C44H70O16/c1-19-8-13-44(53-18-19)20(2)30-27(60-44)15-26-24-7-6-22-14-23(9-11-42(22,4)25(24)10-12-43(26,30)5)55-41-38(59-39-35(51)33(49)31(47)21(3)54-39)36(52)37(29(17-46)57-41)58-40-34(50)32(48)28(16-45)56-40/h6,19-21,23-41,45-52H,7-18H2,1-5H3/t19-,20+
SMILES	O1[C@@H]2[C@@H]([C@@]3([C@H]([C@H]4[C@H](CC3)[C@@]3(C(=CC4)C[C@@H](O[C@@H]4O[C@@H]([C@@H](O[C@H]5O[C@@H]([C@@H](O)[C@@H]5O)CO)[C@H](O)[C@H]4O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C)CO)CC3)C)C2)C)[C@@H]([C@@]21OC[C@@H](CC2)C)C
SMART	[#6][C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5([#6])[C@H]4CC[C@]23[#6])O[C@@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@@H]3O)[C@H](O)[C@H]2O[C@@H]2O[C@H]([#6])[C@@H](O)[C@H](O)[C@H]2O)O[C@]11CC[C@@H]([#6])CO1
CAS No.	-
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C556217
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	ABI Chem,
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