Compound	Ginsenoside Re
NPACT-Id	NPACT00619
IUPAC	(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,10R,12R,13S,14R,17S)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(2S,3R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Synonyms	Panaxoside RE;Ginsenoside B2;Chikusetsusaponin Ivc
PubChem Id	73149
Class	Saponin
In-vitro anticancer activity	3 cancer cell lines
In-Vivo anticancer activity	No
Targets	FOS \| All \|
Properties	Physical Elemental Topological
InChi Key	PWAOOJDMFUQOKB-QVPADXGFSA-N
InChi	1S/C48H82O18/c1-21(2)11-10-14-48(9,66-42-38(60)35(57)32(54)26(19-49)63-42)23-12-16-46(7)30(23)24(51)17-28-45(6)15-13-29(52)44(4,5)40(45)25(18-47(28,46)8)62-43-39(36(58)33(55)27(20-50)64-43)65-41-37(59)34(56)31(53)22(3)61-41/h11,22-43,49-60H,10,12-20H2,1-9
SMILES	O([C@@H]1[C@@H]2[C@@]([C@@H]3[C@]([C@]4([C@H]([C@H](CC4)[C@@](O[C@@H]4O[C@@H]([C@@H](O)[C@@H](O)[C@H]4O)CO)(CCC=C(C)C)C)[C@H](O)C3)C)(C1)C)(CC[C@H](O)C2(C)C)C)[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H]([C@H](O)[C@@H](O)[C@H]1O)C)CO
SMART	[#6][C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2O[C@H]2C[C@]3([#6])[C@H](C[C@@H](O)C4[C@H](CC[C@@]34[#6])[C@]([#6])(CCC=C([#6])[#6])O[C@@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)[C@@]3([#6])CC[C@H](O)[C@@]([#6])([#6])[C@H]23)[C@H](O)[C@H](O)[C@H]1O
CAS No.	52286-59-6
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C049864
	HIT	C0173
	NCI-60 GI₅₀ data	-
Suppliers	AAA Chemistry, ABI Chem, ChemMol, Kingston Chemistry,
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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