NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound2-alpha,3-beta,13-beta-trihydroxyurs-11-en-28-oic acid
NPACT-IdNPACT00092
IUPAC-
Synonyms-
PubChem Id-
ClassTerpenoids
In-vitro anticancer activtiy 3 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyBVJDDPRBYGBPKD-IERVKHSNSA-N
InChi1S/C30H48O3/c1-25(2)14-16-30-17-15-28(6)18(22(30)23(25)33-24(30)32)8-9-20-27(5)12-11-21(31)26(3,4)19(27)10-13-29(20,28)7/h18-23,31H,8-17H2,1-7H3/t18-,19+,20-,21+,22-,23+,27+,28-,29-,30-/m1/s1
SMILESC1[C@]2([C@H](C([C@@H](O)[C@@H]1O)(C)C)CC[C@@]1([C@@H]2C=C[C@]2([C@H]1CC[C@@]1([C@@H]2[C@H]([C@H](CC1)C)C)C(=O)O)O)C)C
SMART[#6][C@H]1CC[C@@]2(CC[C@H]3[C@]4([#6])CC[C@H]5[C@]([#6])([#6])[C@@H](O)[C@H](O)C[C@]5([#6])[C@H]4C=C[C@]3(O)[C@H]2[C@H]1[#6])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   Yes
Ghose filter   No
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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