NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound3-o-(cis-p-coumaroyl)-maslinic acid
NPACT-IdNPACT01083
IUPAC-
Synonyms11-hydroxy-10-[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-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
PubChem Id5316120
ClassTerpenoids
In-vitro anticancer activity 6 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyKWLOAKAXMOYBRK-GDNBJRDFSA-N
InChi1S/C39H54O6/c1-34(2)18-20-39(33(43)44)21-19-37(6)26(27(39)22-34)13-14-30-36(5)23-28(41)32(35(3,4)29(36)16-17-38(30,37)7)45-31(42)15-10-24-8-11-25(40)12-9-24/h8-13,15,27-30,32,40-41H,14,16-23H2,1-7H3,(H,43,44)/b15-10-
SMILESO(C1C(C2C(C3C(C4(C(=CC3)C3C(CC4)(CCC(C3)(C)C)C(=O)O)C)(CC2)C)(CC1O)C)(C)C)C(=O)/C=Cc1ccc(O)cc1
SMART[H]OC(=O)[C@]12C([H])([H])C([H])([H])[C@@]3(C([H])([H])[H])C(=C([H])C([H])([H])[C@@]4([H])[C@]5(C([H])([H])[H])C([H])([H])[C@]([H])(O[H])[C@@]([H])(OC(=O)C([H])=C([H])C6=C([H])C([H])=C(O[H])C([H])=C6[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   -
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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