NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundResiniferol 20-(4-hydroxy-3-methoxyphenylacetate) 9,13,14-ortho-phenylacetate
NPACT-IdNPACT00904
IUPAC-
Synonyms-
PubChem Id53776296
ClassTerpenoids
In-vitro anticancer activity 6 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyDSDNAKHZNJAGHN-POQFGIRASA-N
InChi1S/C37H40O9/c1-21(2)35-17-23(4)37-27(33(35)44-36(45-35,46-37)19-24-9-7-6-8-10-24)14-26(18-34(41)30(37)13-22(3)32(34)40)20-43-31(39)16-25-11-12-28(38)29(15-25)42-5/h6-15,23,27,30,33,38,41H,1,16-20H2,2-5H3/t23-,27+,30+,33-,34-,35-,36+,37-/m1/s1
SMILESO1[C@@]23[C@H]([C@H]4O[C@]1(O[C@]4(C[C@H]2C)C(=C)C)Cc1ccccc1)C=C(C[C@@]1(O)[C@@H]3C=C(C1=O)C)COC(=O)Cc1cc(OC)c(O)cc1
SMART[#6]OC1=C(O)C=CC(CC(=O)OCC2=C[C@H]3[C@H]4O[C@@]5(CC6=CC=CC=C6)O[C@]4(C[C@@H]([#6])[C@]3(O5)[C@H]3C=C([#6])C(=O)[C@@]3(O)C2)C([#6])=C)=C1
CAS No.-
Structure
Download

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.