NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundAgladupol A
NPACT-IdNPACT00223
IUPACmethyl(1R,2R,3S,3aR,8bS)-1,8b-dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxylate
Synonyms-
PubChem Id-
ClassTerpenoids
In-vitro anticancer activity 3 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeySBQFQOLBZXKZRP-KXOMPGEJSA-N
InChi1S/C31H52O6/c1-27(2)22-16-24(33)31(7)20-10-9-18(17-15-19(37-26(17)36-8)25(34)28(3,4)35)29(20,5)13-11-21(31)30(22,6)14-12-23(27)32/h10,17-19,21-26,32-35H,9,11-16H2,1-8H3/t17-,18-,19+,21+,22-,23-,24-,25+,26+,29+,30+,31-/m0/s1
SMILESC1C[C@@H](C([C@H]2[C@]1([C@@H]1[C@@]([C@H](C2)O)(C2=CC[C@H]([C@]2(CC1)C)[C@H]1[C@@H](O[C@H](C1)[C@H](C(C)(C)O)O)OC)C)C)(C)C)O
SMART[#6]O[C@@H]1O[C@H](C[C@H]1[C@@H]1CC=C2[C@]1([#6])CC[C@@H]1[C@@]3([#6])CC[C@H](O)[C@@]([#6])([#6])[C@@H]3C[C@H](O)[C@@]21[#6])[C@@H](O)[C@]([#6])([#6])O
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   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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