NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundGuanepolide
NPACT-IdNPACT00636
IUPAC-
Synonyms-
PubChem Id44575525
ClassTerpenoids
In-vitro anticancer activtiy 1 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyAROURRYSXPKSSD-PYUGWHIMSA-N
InChi1S/C27H34O9/c1-13(29)34-15-11-24(2,23-14(12-28)8-20(31)36-23)16-10-21(32)35-19-9-17-25(3,33)7-6-18(30)26(17,4)22(15)27(16,19)5/h6-7,10,14-15,17,19,22-23,28,33H,8-9,11-12H2,1-5H3/t14-,15+,17+,19-,22-,23+,24-,25-,26-,27-/m1/s1
SMILESO1[C@H]2[C@@]3([C@@H]([C@@]4([C@@H](C2)[C@](O)(C=CC4=O)C)C)[C@@H](OC(=O)C)C[C@](C3=CC1=O)([C@H]1OC(=O)C[C@@H]1CO)C)C
SMART[H]OC([H])([H])[C@@]1([H])C([H])([H])C(=O)O[C@]1([H])[C@]1(C2=C([H])C(=O)O[C@]3([H])C([H])([H])[C@@]4([H])[C@](O[H])(C([H])=C([H])C(=O)[C@]4(C([H])([H])[H])[C@@]([H])([C@@]([H])(OC(=O)C([H])([H])[H])C1([H])[H])[C@]23C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]
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

 






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