Compound	Rhaponticin
NPACT-Id	NPACT01305
IUPAC	-
Synonyms	Ponticin;155-58-8;Rhapontigenin, 3-beta-D-glucopyranoside;Rhapontigenin 3-O-beta-D-glucopyranoside;Glucopyranoside, rhapontigenin-3, beta-D-
PubChem Id	637213
Class	Simple aromatic natural products
In-vitro anticancer activity	4 cancer cell lines
In-Vivo anticancer activity	No
Targets	No targets found
Properties	Physical Elemental Topological
InChi Key	GKAJCVFOJGXVIA-DXKBKAGUSA-N
InChi	1S/C21H24O9/c1-28-16-5-4-11(8-15(16)24)2-3-12-6-13(23)9-14(7-12)29-21-20(27)19(26)18(25)17(10-22)30-21/h2-9,17-27H,10H2,1H3/b3-2+/t17-,18-,19+,20-,21-/m1/s1
SMILES	O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1Oc1cc(cc(O)c1)/C=C/c1cc(O)c(OC)cc1)CO
SMART	[H]OC1=C([H])C(O[C@]2([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])=C([H])C(C([H])=C(/[H])C2=C([H])C(O[H])=C(OC([H])([H])[H])C([H])=C2[H])=C1[H]
CAS No.	155-58-8
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C023538
	HIT	-
	NCI-60 GI₅₀ data	155-58-8
Suppliers	ABI Chem, Ambinter, ChemExper Chemical Directory, R&D Chemicals, Sigma-Aldrich, ZINC,
Drug-Likeliness Filters	Lipinski's rule of five	No
	Ghose filter	Yes
	Veber filter	No
	Muegge Filter	No
Similarity Search	Human metabolite database	FDA approved drugs

NPACT

Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase