NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundMeliavolkinin
NPACT-IdNPACT00766
IUPAC-
Synonyms-
PubChem Id44566525
ClassTerpenoids
In-vitro anticancer activity 6 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyOVRHPVPNJONXSX-YWQAOYTKSA-N
InChi1S/C35H42O7/c1-20(36)41-26-17-27(42-31(38)21-9-7-6-8-10-21)35(5)25-13-15-32(2)23(22-14-16-39-18-22)11-12-24(32)34(25,4)30(37)28-29(35)33(26,3)19-40-28/h6-10,12,14,16,18,23,25-30,37H,11,13,15,17,19H2,1-5H3/t23-,25-,26+,27-,28-,29-,30+,32-,33+,34-,35-/m0/s1
SMILESO1[C@H]2[C@@H]3[C@@]([C@@H]4[C@@]([C@@H]2O)(C2=CC[C@H]([C@@]2(CC4)C)c2ccoc2)C)([C@@H](OC(=O)c2ccccc2)C[C@@H](OC(=O)C)[C@]3(C1)C)C
SMART[H]O[C@]1([H])[C@@]2([H])OC([H])([H])[C@@]3(C([H])([H])[H])[C@@]2([H])[C@](C([H])([H])[H])([C@@]([H])(OC(=O)C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])[C@@]3([H])OC(=O)C([H])([H])[H])[C@@]2([H])C([H])([H])C([H])([H])[C@@]3(C(=C([H])C([H])([H])[C@@]3([H])C3=C([H])OC([H])=C3[H])[C@]12C([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

 






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