NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound3-beta-trans-feruloyloxy-16-beta-hydroxylup-20(29)-ene
NPACT-IdNPACT00125
IUPAC-
Synonyms3-O-(E)-Caffeoyloleanolic Acid
PubChem Id-
ClassTerpenoids
In-vitro anticancer activtiy 4 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyOJEUMHQEAMVIBI-HZABPAOBSA-N
InChi1S/C39H54O6/c1-34(2)18-20-39(33(43)44)21-19-37(6)25(26(39)23-34)10-12-30-36(5)16-15-31(35(3,4)29(36)14-17-38(30,37)7)45-32(42)13-9-24-8-11-27(40)28(41)22-24/h8-11,13,22,26,29-31,40-41H,12,14-21,23H2,1-7H3,(H,43,44)/b13-9+/t26-,29+,30+,31+,36+,37-,38-,39+/
SMILESc1cc(c(cc1/C=CC(=O)O[C@@H]1C([C@H]2[C@](CC1)([C@@H]1[C@@](CC2)([C@]2([C@H](CC1)[C@H]1[C@@H](CC[C@@H]1[C@H](C2)O)C(=C)C)C)C)C)(C)C)OC)C
SMART[#6]OC1=CC(C=CC(=O)O[C@H]2CC[C@@]3([#6])[C@@]([H])(CC[C@]4([#6])[C@]3([H])CC[C@]3([H])[C@@]5([H])[C@@H](CC[C@]5([H])[C@@H](O)C[C@@]43[#6])C(=C)[#6])[C@]2([#6])[#6])=CC([H])=C1[#6]
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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