NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundUncarinic acid A
NPACT-IdNPACT00996
IUPAC3-beta-hydroxy-27-E-feruloyloxyolea-12-en-28-oic acid
Synonyms-
PubChem Id5274626
ClassTerpenoids
In-vitro anticancer activity 5 cancer cell lines
In-Vivo anticancer activity No
TargetsPLCG1 |   All | 
Properties Physical   Elemental  Topological
InChi KeyJRPVAEQMQZMGNM-YPSYTYALSA-N
InChi1S/C38H52O6/c1-33(2)17-18-37(32(43)44)19-20-38(31(42)12-8-23-7-10-26(39)27(40)21-23)24(25(37)22-33)9-11-29-35(5)15-14-30(41)34(3,4)28(35)13-16-36(29,38)6/h7-10,12,21,25,28-30,39-41H,11,13-20,22H2,1-6H3,(H,43,44)/b12-8+/t25-,28?,29?,30-,35-,36+,37-,38+/m0/
SMILESO[C@@H]1C([C@H]2[C@@]([C@H]3[C@]([C@]4(C(=CC3)[C@H]3[C@@](CC4)(CCC(C3)(C)C)C(=O)O)C(=O)/C=C/c3cc(O)c(O)cc3)(CC2)C)(CC1)C)(C)C
SMART[H]OC(=O)[C@@]12C([H])([H])C([H])([H])[C@]3(C(=O)C([H])=C(/[H])C4=C([H])C(O[H])=C(O[H])C([H])=C4[H])C(=C([H])C([H])([H])[C@@]4([H])[C@@]5(C([H])([H])[H])C([H])([H])C([H])([H])[C@]([H])(O[H])[C@@](C([H])([H])[H])(C([H])([H])[H])[C@]5([H])C([H])([H])C([H])([H])[C@@]34C([H])([H])[H])[C@]1([H])C([H])([H])[C@@](C([H])([H])[H])(C([H])([H])[H])C([H])([H])C2([H])[H]
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C120092
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, 
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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