NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
Compound6a,12a-dehydro- alpha toxicarol
NPACT-IdNPACT01102
IUPAC-
Synonyms6-Hydroxy-6a,12a-dehydro-alpha-toxicarol
PubChem Id44257423
ClassFlavonoid
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyNVIZHSSHHRHDLE-UHFFFAOYSA-N
InChi1S/C23H20O8/c1-23(2)6-5-10-14(31-23)8-12(24)18-19(25)17-11-7-15(27-3)16(28-4)9-13(11)29-22(26)21(17)30-20(10)18/h5-9,22,24,26H,1-4H3
SMILESO1C(C=Cc2c3oc4c(c5c(OC4O)cc(OC)c(OC)c5)c(=O)c3c(O)cc12)(C)C
SMART[H]OC1=C([H])C2=C(C([H])=C([H])[C@@](O2)(C([H])([H])[H])C([H])([H])[H])C2=C1C(=O)C1=C(O2)[C@@]([H])(O[H])OC2=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C12
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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