NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound12-Deoxyphorbol 20-acetate 13-angelate
NPACT-IdNPACT00037
IUPAC-
Synonyms12-Deoxyphorbol-13-angelate-20-acetate; 5H-Cyclopropa(3,4)benz(1,2-e)azulen-5-one, 1,1a-beta,1b-alpha,4,4a,7a-beta,7b,8,9,9a-decahydro-4a-alpha,7b-beta,9a-beta-trihydroxy-3-acetoxymethyl-1,1,6,8-beta-tetramethyl-, 9-((Z)-2-methylbutenate)
PubChem Id6444377
ClassTerpenoids
In-vitro anticancer activtiy 6 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyZZTJICHINNSOQL-AKVATDITSA-N
InChi1S/C27H36O7/c1-8-14(2)23(30)34-26-11-16(4)27(32)19(21(26)24(26,6)7)10-18(13-33-17(5)28)12-25(31)20(27)9-15(3)22(25)29/h8-10,16,19-21,31-32H,11-13H2,1-7H3/b14-8-/t16-,19+,20-,21-,25-,26+,27-/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)/C(=CC)/C
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(=C([H])C([H])([H])[H])C([H])([H])[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.65700-59-6
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   Yes
Ghose filter   Yes
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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