NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound3-oxo-friedelan-28 oic acid
NPACT-IdNPACT00146
IUPAC-
Synonyms-
PubChem Id469744
ClassTerpenoids
In-vitro anticancer activtiy 7 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyQZNNDFPVPLYXIF-XWAIPUFASA-N
InChi1S/C30H48O3/c1-19-20(31)8-9-21-26(19,4)11-10-22-27(21,5)13-14-29(7)23-18-25(2,3)12-16-30(23,24(32)33)17-15-28(22,29)6/h19,21-23H,8-18H2,1-7H3,(H,32,33)/t19-,21?,22?,23?,26+,27-,28+,29-,30-/m0/s1
SMILESOC(=O)[C@]12[C@H]([C@]3([C@@]([C@@H]4[C@]([C@H]5[C@](CC4)([C@H](C(=O)CC5)C)C)(CC3)C)(CC1)C)C)CC(CC2)(C)C
SMART[#6][C@H]1C(=O)CC[C@@H]2[C@]1([#6])CC[C@H]1[C@@]2([#6])CC[C@@]2([#6])[C@@H]3C[C@@]([#6])([#6])CC[C@@]3(CC[C@]12[#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   No
Ghose filter   No
Veber filter   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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