Compound	Lobatosides B
NPACT-Id	NPACT00717
IUPAC	-
Synonyms	-
PubChem Id	-
Class	Saponin
In-vitro anticancer activtiy	11 cancer cell lines
In-Vivo anticancer activtiy	No
Targets	No targets found
Properties	Physical Elemental Topological
InChi Key	URBHKTLHVWBTBW-UUQCUOHPSA-N
InChi	1S/C59H91NO22/c1-27-46-44(72)45(73)50(77-27)80-48-42(70)34(64)26-76-51(48)81-52(74)59-18-16-53(2,3)21-30(59)29-10-12-37-56(7)23-33(63)49(54(4,5)36(56)14-15-58(37,9)57(29,8)17-19-59)78-35-20-28(25-61)40(68)43(71)47(35)82-60-31(11-13-38(65)66)41(69)32(62)22
SMILES	C1[C@@H]([C@H]2C([C@@H]3[C@@]1([C@H]1[C@@](CC3)([C@]3(C(=CC1)[C@@H]1[C@@](CC3)(CCC(C1)(C)C)C(=O)O[C@H]1[C@@H]([C@H]([C@H](O)CO1)O)O[C@@H]1[C@H]([C@@H]([C@@H](OC(=O)C[C@](CC(=O)C(=O)[C@@H](NO[C@H]3[C@H](O2)C[C@H]([C@@H]([C@H]3O)O)CO)CCC(=O)O)(O)C)[C@@H](O1)C)O)O)C)C)C)(C)C)O
SMART	[#6][C@@H]1O[C@@H]2O[C@@H]3[C@@H](O)[C@H](O)CO[C@H]3OC(=O)[C@]34CC[C@]([#6])([#6])C[C@@H]3C3=CC[C@H]5[C@]6([#6])C[C@H](O)[C@H](O[C@@H]7C[C@@H](CO)[C@H](O)[C@@H](O)[C@H]7ON[C@@H](CCC(O)=O)C(=O)C(=O)C[C@]([#6])(O)CC(=O)O[C@@H]1[C@@H](O)[C@@H]2O)[C@]([#6])([#6])[C@H]6CC[C@@]5([#6])[C@]3([#6])CC4
CAS No.	-
Structure Download
Cross Refrence in other databases
	Super Natural	000961295
	CTD	-
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	NA,
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