NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundRocaglamide
NPACT-IdNPACT00921
IUPAC(1R,2R,3S,3aR,8bS)-1,8b-dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-N,N-dimethyl-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxamide
Synonyms-
PubChem Id331783
ClassBenzofuranoids
In-vitro anticancer activity 6 cancer cell lines
In-Vivo anticancer activity No
TargetsIFNG | IL2  | IL4 | JUN | NFATC1 | TNF |   All | 
Properties Physical   Elemental  Topological
InChi KeyDAPAQENNNINUPW-IDAMAFBJSA-N
InChi1S/C29H31NO7/c1-30(2)27(32)23-24(17-9-7-6-8-10-17)29(18-11-13-19(34-3)14-12-18)28(33,26(23)31)25-21(36-5)15-20(35-4)16-22(25)37-29/h6-16,23-24,26,31,33H,1-5H3/t23-,24-,26-,28+,29+/m1/s1
SMILESO1[C@@]2([C@@](O)([C@H](O)[C@@H]([C@H]2c2ccccc2)C(=O)N(C)C)c2c1cc(OC)cc2OC)c1ccc(OC)cc1
SMART[H]O[C@]1([H])[C@]([H])(C(=O)N(C([H])([H])[H])C([H])([H])[H])[C@@]([H])(C2=C([H])C([H])=C([H])C([H])=C2[H])[C@@]2(OC3=C([H])C(OC([H])([H])[H])=C([H])C(OC([H])([H])[H])=C3[C@]12O[H])C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H]
CAS No.-
Structure
Download

Cross Refrence in other databases
Super Natural   084573160
CTD   C107772
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, Therapeutic Targets Database, 
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.