NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound12-Deoxyphorbol 20-acetate 13-phenylacetate
NPACT-IdNPACT00038
IUPAC-
Synonyms12-Deoxyphorbolphenylacetate-20-acetate; 12-Deoxyphorbol-13-phenylacetate-20-acetate
PubChem Id3034821
ClassTerpenoids
In-vitro anticancer activtiy 6 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyMEDVHSNRBPAIPU-XMOZQXTISA-N
InChi1S/C30H36O7/c1-17-11-23-28(34,26(17)33)15-21(16-36-19(3)31)12-22-25-27(4,5)29(25,14-18(2)30(22,23)35)37-24(32)13-20-9-7-6-8-10-20/h6-12,18,22-23,25,34-35H,13-16H2,1-5H3/t18-,22+,23-,25-,28-,29+,30-/m1/s1
SMILESO([C@@]12[C@@H](C1(C)C)[C@H]1[C@](O)([C@@H](C2)C)[C@H]2[C@](O)(CC(=C1)COC(=O)C)C(=O)C(=C2)C)C(=O)Cc1ccccc1
SMART[H]O[C@@]12C(=O)C(=C([H])[C@@]1([H])[C@]1(O[H])[C@@]([H])(C([H])=C(C([H])([H])OC(=O)C([H])([H])[H])C2([H])[H])[C@@]2([H])[C@@](OC(=O)C([H])([H])C3=C([H])C([H])=C([H])C([H])=C3[H])(C([H])([H])[C@@]1([H])C([H])([H])[H])[C@]2(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]
CAS No.54662-30-5
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C029705
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   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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