NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundMelissoidesins S
NPACT-IdNPACT01261
IUPAC-
Synonyms-
PubChem Id20056146
ClassTerpenoids
In-vitro anticancer activtiy 1 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyYVUFIOMPRJXFAY-KYFVBDFRSA-N
InChi1S/C24H34O7/c1-11-14-7-15(27)19-23(6)17(28)8-18(31-13(3)26)22(4,5)20(23)16(30-12(2)25)10-24(19,9-14)21(11)29/h14-20,27-28H,1,7-10H2,2-6H3/t14-,15+,16+,17+,18+,19+,20-,23+,24+/m1/s1
SMILESO([C@@H]1[C@H]2[C@]([C@H]3[C@@]4(C1)C[C@@H](C[C@@H]3O)C(=C)C4=O)([C@@H](O)C[C@H](OC(=O)C)C2(C)C)C)C(=O)C
SMART[H]O[C@@]1([H])C([H])([H])[C@@]2([H])C(=C([H])[H])C(=O)[C@@]3(C2([H])[H])C([H])([H])[C@]([H])(OC(=O)C([H])([H])[H])[C@]2([H])[C@](C([H])([H])[H])(C([H])([H])[H])[C@@]([H])(OC(=O)C([H])([H])[H])C([H])([H])[C@]([H])(O[H])[C@@]2(C([H])([H])[H])[C@]13[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   Yes
Ghose filter   Yes
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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