NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
Compoundalpha-Toxicarol
NPACT-IdNPACT01126
IUPAC-
Synonymsalpha-Toxicarol;
PubChem Id442826
ClassFlavonoid
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyJLTNCZQNGBLBGO-MOPGFXCFSA-N
InChi1S/C23H22O7/c1-23(2)6-5-11-15(30-23)8-13(24)20-21(25)19-12-7-16(26-3)17(27-4)9-14(12)28-10-18(19)29-22(11)20/h5-9,18-19,24H,10H2,1-4H3/t18-,19+/m1/s1
SMILESO1[C@H]2[C@H](c3c(OC2)cc(OC)c(OC)c3)C(=O)c2c1c1c(OC(C=C1)(C)C)cc2O
SMART[H]OC1=C([H])C2=C(C([H])=C([H])[C@](O2)(C([H])([H])[H])C([H])([H])[H])C2=C1C(=O)[C@@]1([H])C3=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C3OC([H])([H])[C@@]1([H])O2
CAS No.82-09-7
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C501190
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, ZINC, 
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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