NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound2-alpha,3-beta-Dihydroxy-D:A-friedoolean-28-oic acid
NPACT-IdNPACT00093
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 KeyJXBQWUQZVYWFTP-MPVWDPCJSA-N
InChi1S/C29H46O5/c1-16-7-12-28(24(32)33)13-9-21-26(5)11-8-19-25(3,4)23(31)18(30)15-27(19,6)20(26)10-14-29(21,34)22(28)17(16)2/h10,14,16-23,30-31,34H,7-9,11-13,15H2,1-6H3,(H,32,33)/t16-,17-,18+,19-,20-,21-,22-,23-,26+,27-,28-,29+/m0/s1
SMILESC1[C@H]([C@@H]([C@@H]([C@@]2([C@@H]1[C@]1([C@H](CC2)[C@@]2([C@@](CC1)([C@H]1[C@@](CC2)(CCC(C1)(C)C)C(=O)O)C)C)C)C)C)O)O
SMART[H][C@@]12C[C@@H](O)[C@H](O)[C@H]([#6])[C@@]1([#6])CC[C@@]1([H])[C@@]2([#6])CC[C@@]2([#6])[C@]3([H])C[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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