NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundUncarinic acid B
NPACT-IdNPACT00997
IUPAC-
Synonyms-
PubChem Id-
ClassTerpenoids
In-vitro anticancer activtiy 5 cancer cell lines
In-Vivo anticancer activtiy No
TargetsPLCG1 |   All | 
Properties Physical   Elemental  Topological
InChi KeyKORNKUDSZGNBID-RXBKBLJDSA-N
InChi1S/C41H58O7/c1-36(2)19-20-40(35(45)47-8)21-22-41(25-48-34(44)14-10-26-9-12-29(42)30(23-26)46-7)27(28(40)24-36)11-13-32-38(5)17-16-33(43)37(3,4)31(38)15-18-39(32,41)6/h9-12,14,23,28,31-33,42-43H,13,15-22,24-25H2,1-8H3/b14-10+/t28-,31+,32+,33+,38+,39-,40+,4
SMILESC1C[C@@H](C([C@H]2[C@]1([C@H]1[C@@](CC2)([C@]2(C(=CC1)[C@@H]1[C@@](CC2)(CCC(C1)(C)C)C(=O)OC)COC(=O)/C=C/c1cc(c(cc1)O)OC)C)C)(C)C)O
SMART[#6]OC(=O)[C@]12CC[C@]([#6])([#6])C[C@@H]1C1=CC[C@H]3[C@@]4([#6])CC[C@H](O)[C@@]([#6])([#6])[C@@H]4CC[C@@]3([#6])[C@@]1(CC2)COC(=O)C=CC1=CC(O[#6])=C(O)C=C1
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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