NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundMaslinic acid
NPACT-IdNPACT00758
IUPAC(4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
SynonymsCrategolic acid;Crataegolic acid
PubChem Id73659
ClassTerpenoids
In-vitro anticancer activtiy 3 cancer cell lines
In-Vivo anticancer activtiy No
TargetsBAX | BCL2 | BID | CASP3 | CASP7 | CASP8 | CASP9 | CYCS | MAPK8 | TP53 |   All | 
Properties Physical   Elemental  Topological
InChi KeyMDZKJHQSJHYOHJ-LLICELPBSA-N
InChi1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21-,22+,23-,27-,28+,29+,30-/m0/s1
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)(CC2)C)(C[C@H]1O)C)(C)C
SMART[H]OC(=O)[C@]12C([H])([H])C([H])([H])[C@](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[C@@]1([H])C1=C([H])C([H])([H])[C@]3([H])[C@@]4(C([H])([H])[H])C([H])([H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@](C([H])([H])[H])(C([H])([H])[H])[C@]4([H])C([H])([H])C([H])([H])[C@@]3(C([H])([H])[H])[C@]1(C([H])([H])[H])C([H])([H])C2([H])[H]
CAS No.4373-41-5
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C412811
HIT   -
NCI-60 GI50 data   -
Suppliers AAA Chemistry, ABBLIS Chemicals, ABI Chem, Kingston Chemistry, Therapeutic Targets Database, 
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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