NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound1-beta,2-alpha-epoxytagitinin C
NPACT-IdNPACT00052
IUPAC-
Synonyms-
PubChem Id44566960
ClassTerpenoids
In-vitro anticancer activtiy 2 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyRRILSSWTIAVLMG-OZUMSVRBSA-N
InChi1S/C19H24O7/c1-8(2)17(21)25-12-7-19(5,23)16-15(26-16)14(20)9(3)6-11-13(12)10(4)18(22)24-11/h6,8,11-13,15-16,23H,4,7H2,1-3,5H3/b9-6-/t11-,12-,13+,15+,16-,19-/m1/s1
SMILESO1[C@H]2[C@](O)(C[C@@H](OC(=O)C(C)C)[C@@H]3[C@H](OC(=O)C3=C)C=C(C(=O)[C@H]12)C)C
SMART[H]O[C@]1(C([H])([H])[H])C([H])([H])[C@@]([H])(OC(=O)[C@]([H])(C([H])([H])[H])C([H])([H])[H])[C@@]2([H])C(=C([H])[H])C(=O)O[C@]2([H])C([H])=C(C([H])([H])[H])/C(=O)[C@]2([H])O[C@@]12[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   Yes
Ghose filter   Yes
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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