NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound2-alpha, 3-alpha, 19-beta, 23-beta-tetrahydroxyurs-12-en-28-oic acid
NPACT-IdNPACT01486
IUPAC-
Synonyms-
PubChem Id-
ClassTerpenoids
In-vitro anticancer activtiy 8 cancer cell lines
In-Vivo anticancer activtiy Yes
TargetsBAX | BCL2 | CASP3 | CASP8 | CASP9 | CCND1 | CDK1 | CYCS | MYC | PARP1 |   All | 
Properties Physical   Elemental  Topological
InChi KeyYCOKATFNRPZIIU-PYZJFWISSA-N
InChi1S/C30H48O6/c1-17-9-12-30(24(34)35)14-13-27(4)18(22(30)29(17,6)36)7-8-21-25(2)15-19(32)23(33)26(3,16-31)20(25)10-11-28(21,27)5/h7,17,19-23,31-33,36H,8-16H2,1-6H3,(H,34,35)/t17-,19-,20?,21?,22?,23-,25-,26-,27+,28+,29+,30-/m0/s1
SMILESC1[C@@H]([C@@H]([C@@](C2[C@]1(C1[C@@](CC2)([C@]2(C(=CC1)C1[C@@](CC2)(CC[C@@H]([C@@]1(C)O)C)C(=O)O)C)C)C)(C)CO)O)O
SMART[#6][C@H]1CC[C@@]2(CC[C@]3([#6])C(=CCC4[C@@]5([#6])C[C@H](O)[C@H](O)[C@@]([#6])(CO)C5CC[C@@]34[#6])C2[C@]1([#6])O)C(O)=O
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.