NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound3-beta-O-[beta-D-glucopyranosyl-(1->3)-alpha-L-rhamnopyranosyl-(1->2)-alpha-L-arabinopyranosyl]echinocystic acid28-O-[alpha-L-rhamnopyranosyl (1->4)-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyanosyl] ester
NPACT-IdNPACT01551
IUPAC-
Synonyms-
PubChem Id-
ClassSaponin
In-vitro anticancer activtiy 3 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyGWZGBPYJCRGPKJ-LBJSVNIDSA-N
InChi1S/C71H116O35/c1-25-37(74)27(20-30-38(75)42(79)48(85)61(98-30)104-56-45(82)39(76)31(22-72)97-59(56)92)54(58(91)95-25)103-64-51(88)44(81)50(87)63(106-64)101-36-13-14-68(7)34(67(36,5)6)12-15-70(9)35(68)11-10-28-29-21-66(3,4)16-18-71(29,19-17-69(28,70)8)65(9
SMILESC1C[C@@H](C(C2[C@]1(C1[C@@](CC2)([C@]2(C(=CC1)C1[C@@]([CH]C2)(CCC(C1)(C)C)C(=O)OC1[C@H](C(O[C@H](CO)[C@@H]1O)OC[C@H]1O[C@H](OC2[C@@H](O[C@H]([C@@H]([C@@H]2O)O)O)C)[C@H](O)[C@H](O)[C@H]1O)O)C)C)C)(C)C)OC1[C@@H](O)[C@H]([C@@H]([C@H](O1)OC1C([C@H]([C@@H](O[C@H]1O)C)O)C[C@@H]1O[C@H]([C@@H]([C@@H]([C@H]1O)O)O)OC1[C@H](O[C@H](CO)[C@@H]([C@H]1O)O)O)O)O
SMART[H]C1C[C@]2([#6])C(=CCC3[C@@]4([#6])CC[C@H](OC5O[C@H](OC6[C@H](O)O[C@@H]([#6])[C@H](O)C6C[C@@H]6O[C@@H](OC7[C@@H](O)O[C@H](CO)[C@H](O)[C@H]7O)[C@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@H](O)[C@@H]5O)[C@@]([#6])([#6])C4CC[C@@]23[#6])C2C[C@]([#6])([#6])CC[C@]12C(=O)OC1[C@@H](O)[C@@H](CO)OC(OC[C@H]2O[C@H](OC3[C@H]([#6])O[C@@H](O)[C@H](O)[C@@H]3O)[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 SearchHuman metabolite databaseFDA approved drugs

 






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