NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound3-beta-O-(E)-feruloylbetulin
NPACT-IdNPACT00123
IUPAC-
Synonyms3-O-(E)-p-Coumaroylbetulinic Acid;3.beta.-O-trans-Coumaroylbetulinic 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 KeyQYUWZMVAARIGMO-BQCSMZNZSA-N
InChi1S/C39H54O5/c1-24(2)27-16-21-39(34(42)43)23-22-37(6)28(33(27)39)13-14-30-36(5)19-18-31(35(3,4)29(36)17-20-38(30,37)7)44-32(41)15-10-25-8-11-26(40)12-9-25/h8-12,15,27-31,33,40H,1,13-14,16-23H2,2-7H3,(H,42,43)/b15-10+/t27-,28+,29-,30+,31-,33+,36-,37+,38+,39
SMILESC1[C@@H](CC(C2[C@]1(C1[C@@](CC2)(C2C(CC1)C1[C@@H](CC[C@@]1(CC2)CO)C(=C)C)C)C)(C)C)OC(=O)/C=C/c1ccc(c(c1)OC)O
SMARTOC[C@]12CC[C@@H](C([#6])=C)[C@@H]1[C@H]1CC[C@H]3[C@@]([#6])(CC[C@H]4[C@]([#6])([#6])C[C@@H](OC(=O)C=CC5=CC(O[#6])=C(O)C=C5)C[C@]34[#6])[C@@H]1CC2
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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