NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound1-cinnamoyl-3-hydroxy-11-methoxymeliacarpinin
NPACT-IdNPACT00055
IUPAC-
Synonyms-
PubChem Id10508889
ClassTerpenoids
In-vitro anticancer activtiy 1 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyUPZJANQVCYBAES-DSJXYJGLSA-N
InChi1S/C37H44O13/c1-31-17-46-25-26(31)34(22(16-21(31)38)48-24(39)12-11-19-9-7-6-8-10-19)18-47-36(44-5,29(40)43-4)28(34)32(2)27(25)50-33(3)20-15-23(37(32,33)42)49-30-35(20,41)13-14-45-30/h6-14,20-23,25-28,30,38,41-42H,15-18H2,1-5H3/b12-11+/t20?,21-,22+,23+,25-
SMILESO1[C@H]2[C@]([C@H]3[C@@]4([C@H]5[C@H]2OC[C@@]5([C@H](O)C[C@@H]4OC(=O)/C=C/c2ccccc2)C)CO[C@]3(OC)C(=O)OC)([C@]2(O)[C@]1([C@H]1C[C@@H]2O[C@@H]2OC=C[C@]12O)C)C
SMART[H]O[C@]1([H])C([H])([H])[C@]([H])(OC(=O)C([H])=C(/[H])C2=C([H])C([H])=C([H])C([H])=C2[H])[C@]23C([H])([H])O[C@](OC([H])([H])[H])(C(=O)OC([H])([H])[H])[C@@]2([H])[C@@]2(C([H])([H])[H])[C@]([H])(O[C@]4(C([H])([H])[H])[C@@]5([H])C([H])([H])[C@]([H])(O[C@]6([H])OC([H])=C([H])[C@]56O[H])[C@]24O[H])[C@]2([H])OC([H])([H])[C@@]1(C([H])([H])[H])[C@@]32[H]
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   No
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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