NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
Compoundalpha-L-arabinopyranoside
NPACT-IdNPACT01123
IUPAC-
Synonyms-
PubChem Id399180
ClassTerpenoids
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyIHEJMZHKJYHVFF-QBTGIYHESA-N
InChi1S/C37H58O10/c1-18(15-21(45-19(2)38)30-33(5,6)47-30)25-27(41)29(43)35(8)23-10-9-22-32(3,4)24(46-31-28(42)26(40)20(39)16-44-31)11-12-36(22)17-37(23,36)14-13-34(25,35)7/h18,20-26,28-31,39-40,42-43H,9-17H2,1-8H3/t18-,20?,21-,22+,23?,24+,25+,26?,28?,29+,30+,3
SMILESO([C@@H]1C([C@H]2[C@@]3([C@@]4(C3)C([C@]3([C@](CC4)([C@H](C(=O)[C@@H]3O)[C@@H](C[C@@H](OC(=O)C)[C@@H]3OC3(C)C)C)C)C)CC2)CC1)(C)C)C1OCC(O)C(O)C1O
SMART[#6][C@H](C[C@@H](OC([#6])=O)[C@@H]1OC1([#6])[#6])[C@H]1C(=O)[C@H](O)[C@@]2([#6])C3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12[#6])CC[C@H](OC1OCC(O)C(O)C1O)C4([#6])[#6]
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, 
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.