NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
Compound3-o-(trans-p-coumaroyl)-alphitolic acid
NPACT-IdNPACT01488
IUPAC-
Synonyms-
PubChem Id-
ClassTerpenoids
In-vitro anticancer activity 6 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyYFDKYZFJWAXTKJ-UKTHLTGXSA-N
InChi1S/C40H62O6/c1-23(2)26-14-17-40(35(45)46)19-18-38(6)27(34(26)40)10-12-32-37(5)22-30(42)28(36(3,4)31(37)15-16-39(32,38)7)21-25-20-24(8-11-29(25)41)9-13-33(43)44/h9,13,24-32,34,41-42H,1,8,10-12,14-22H2,2-7H3,(H,43,44)(H,45,46)/b13-9+
SMILESC1C(C(C(C2C1(C1C(CC2)(C2(C(CC1)C1C(CC2)(CCC1C(=C)C)C(=O)O)C)C)C)(C)C)CC1C(CCC(C1)/C=C/C(=O)O)O)O
SMART[H]C(=C([H])C(O)=O)C1CCC(O)C(CC2C(O)CC3([#6])C(CCC4([#6])C3CCC3C5C(CCC5(CCC43[#6])C(O)=O)C([#6])=C)C2([#6])[#6])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.