NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound25-O-methoxycimigenol 3-O-alpha-L-arabinopyranoside
NPACT-IdNPACT01521
IUPAC-
Synonyms-
PubChem Id11856241
ClassTerpenoids
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyLAOCOVISLMUJNC-KVTAVDFCSA-N
InChi1S/C36H58O9/c1-18-15-20-27(31(4,5)41-8)45-36(44-20)26(18)32(6)13-14-35-17-34(35)12-11-23(43-28-25(39)24(38)19(37)16-42-28)30(2,3)21(34)9-10-22(35)33(32,7)29(36)40/h18-29,37-40H,9-17H2,1-8H3/t18-,19+,20?,21?,22?,23+,24+,25-,26?,27-,28-,29-,32-,33-,34?,35?,
SMILESO1[C@]23O[C@H](C1C[C@H](C2[C@@]1([C@](C2C4(C5(C4)C(CC2)C([C@@H](O[C@H]2OC[C@H](O)[C@H](O)[C@H]2O)CC5)(C)C)CC1)([C@H]3O)C)C)C)C(OC)(C)C
SMART[#6]OC([#6])([#6])[C@@H]1O[C@@]23OC1C[C@@H]([#6])C2[C@@]1([#6])CCC24CC22CC[C@H](O[C@H]5OC[C@H](O)[C@H](O)[C@H]5O)C([#6])([#6])C2CCC4[C@]1([#6])[C@H]3O
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   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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