NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundGinsenoside Rh1
NPACT-IdNPACT00620
IUPAC(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,10R,12R,14R,17S)-3,12-dihydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Synonymsbeta-D-Glucopyranoside, (3beta,6alpha,12beta)-3,12,20-trihydroxydammar-24-en-6-yl;(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,10R,12R,14R,17S)-3,12-dihydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem Id3085260
ClassSaponin
In-vitro anticancer activity 3 cancer cell lines
In-Vivo anticancer activity No
TargetsMAPK1 | MAPK8 | MMP1 |   All | 
Properties Physical   Elemental  Topological
InChi KeyRAQNTCRNSXYLAH-YFEBDHGLSA-N
InChi1S/C36H62O9/c1-19(2)10-9-13-36(8,43)20-11-15-34(6)26(20)21(38)16-24-33(5)14-12-25(39)32(3,4)30(33)22(17-35(24,34)7)44-31-29(42)28(41)27(40)23(18-37)45-31/h10,20-31,37-43H,9,11-18H2,1-8H3/t20-,21+,22-,23+,24?,25-,26?,27+,28-,29+,30-,31+,33+,34+,35+,36-/m0/
SMILESO([C@@H]1[C@@H]2[C@@]([C@@H]3[C@]([C@]4([C@@H]([C@H](CC4)[C@@](O)(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)CO
SMART[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(O[C@@]2([H])C([H])([H])[C@]3(C([H])([H])[H])[C@]([H])(C([H])([H])[C@@]([H])(O[H])[C@]4([H])[C@]([H])(C([H])([H])C([H])([H])[C@@]34C([H])([H])[H])[C@](O[H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])[C@@]3(C([H])([H])[H])C([H])([H])C([H])([H])[C@]([H])(O[H])[C@@](C([H])([H])[H])(C([H])([H])[H])[C@]23[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]
CAS No.63223-86-9
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C425564
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, ChemMol, 
Drug-Likeliness Filters Lipinski's rule of five   No
Ghose filter   No
Veber filter   No
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






Copyright © 2012. Subhash M. Agagrwal. All Rights Reserved.