NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound12-O-Methylvolkensin
NPACT-IdNPACT00041
IUPAC-
Synonyms-
PubChem Id-
ClassTerpenoids
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyAOZKPYNHVKLJJH-HBIMQXGISA-N
InChi1S/C34H48O9/c1-9-17(2)31(37)43-25-14-24(41-19(4)35)32(5)16-40-28-29(32)33(25,6)23-13-26(38-8)42-22-12-21(20-10-11-39-15-20)18(3)27(22)34(23,7)30(28)36/h9-11,15,18,21-30,36H,12-14,16H2,1-8H3/b17-9+/t18-,21+,22-,23+,24+,25-,26-,27+,28+,29-,30+,32+,33-,34+/m
SMILESC1[C@H]([C@@]2([C@H]3[C@]([C@H]1OC(=O)/C(=C/C)/C)([C@@H]1[C@@]([C@@H]([C@@H]3OC2)O)([C@H]2[C@H](C[C@H]([C@@H]2C)c2cocc2)O[C@@H](C1)OC)C)C)C)OC(=O)C
SMART[H][C@@]12[C@@H]([#6])[C@@H](C[C@@H]1O[C@@H](C[C@@]1([H])[C@@]2([#6])[C@H](O)[C@@H]2OC[C@]3([#6])[C@@H](C[C@H](OC(=O)C([#6])=C[#6])[C@@]1([#6])[C@@]23[H])OC([#6])=O)O[#6])C1=COC=C1
CAS No.244179-69-9
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   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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