NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound3-beta-O-alpha-L-arabinopyranosyl-lup-20(29)-ene-28-O-beta-D-glucopyranosyl ester
NPACT-IdNPACT01550
IUPAC-
Synonyms-
PubChem Id-
ClassSaponin
In-vitro anticancer activtiy 1 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyGTTLGHQFSHVFQY-XIAIGNJOSA-N
InChi1S/C41H66O12/c1-20(2)21-10-15-41(36(49)53-35-33(48)31(46)30(45)24(18-42)51-35)17-16-39(6)22(28(21)41)8-9-26-38(5)13-12-27(37(3,4)25(38)11-14-40(26,39)7)52-34-32(47)29(44)23(43)19-50-34/h21-35,42-48H,1,8-19H2,2-7H3/t21-,22?,23+,24?,25?,26?,27-,28?,29+,30+,
SMILESC1C[C@@H](C(C2[C@]1(C1[C@@](CC2)([C@]2(C(CC1)C1[C@@](CC2)(CC[C@H]1C(=C)C)C(=O)O[C@H]1C(C([C@@H](C(O1)CO)O)O)O)C)C)C)(C)C)OC1OC[C@H]([C@H]([C@@H]1O)O)O
SMART[#6]C(=C)[C@@H]1CC[C@@]2(CC[C@]3([#6])C(CCC4[C@@]5([#6])CC[C@H](OC6OC[C@@H](O)[C@@H](O)[C@@H]6O)[C@]([#6])([#6])C5CC[C@@]34[#6])C12)C(=O)O[C@@H]1OC(CO)[C@@H](O)C(O)C1O
CAS No.-
Structure
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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.