Compound	23-Hydroxy-3-beta-[(O-alpha-L-rhamnopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->4)]-alpha-L-arabinopyranosyl)oxy]lup-20(29)-en-28-oic acid
NPACT-Id	NPACT00078
IUPAC	-
Synonyms	(1s,2s,4r,9\|A,16\|A,17xi)-1,2,16,20,25-pentahydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholest-5-ene-11,22-dione; Cucurbitacin IIb; 9-Methyl-2,3,16,20,25-pentahydroxy-19-norlanosta-5-ene-11,22-dione, (2.beta.,3.alpha.,9.beta.,10.alpha.,16.alpha.)
PubChem Id	-
Class	Saponin
In-vitro anticancer activity	4 cancer cell lines
In-Vivo anticancer activity	Yes
Targets	No targets found
Properties	Physical Elemental Topological
InChi Key	VVBWBGOEAVGFTN-LPQIEKFGSA-N
InChi	1S/C30H48O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,17-20,23-24,31-32,35-37H,10-15H2,1-8H3/t17-,18+,19-,20+,23+,24-,27+,28-,29+,30+/m1/s1
SMILES	C1C[C@@H]([C@@]([C@H]2[C@]1([C@@H]1[C@@](CC2)([C@]2([C@H](CC1)[C@H]1[C@@H](CC[C@@]1(CC2)C(=O)O)C(=C)C)C)C)C)(C)CO)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O[C@@H]1[C@H]([C@@H](O[C@H]([C@H]1O)O)C)O)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO
SMART	[#6][C@@H]1O[C@@H](O)[C@@H](O)[C@H](O[C@@H]2[C@@H](O)[C@H](CO[C@H]2O[C@H]2CC[C@@]3([#6])[C@@H](CC[C@]4([#6])[C@@H]3CC[C@@H]3[C@H]5[C@@H](CC[C@@]5(CC[C@@]43[#6])C(O)=O)C([#6])=C)[C@]2([#6])CO)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O
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	No
	Ghose filter	No
	Veber filter	No
	Muegge Filter	No
Similarity Search	Human metabolite database	FDA approved drugs

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Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase

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