NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundOrientanol c
NPACT-IdNPACT01287
IUPAC-
Synonyms-
PubChem Id42607512
ClassFlavonoid
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyMWXSRUJUWMLCJD-RPBOFIJWSA-N
InChi1S/C25H26O6/c1-14(2)5-6-16-19(26)8-7-17-22(16)31-25(28)18-11-15-9-10-23(3,4)30-20(15)12-21(18)29-13-24(17,25)27/h5,7-12,26-28H,6,13H2,1-4H3/t24-,25+/m1/s1
SMILESO1[C@]2(O)[C@](O)(c3c1c(c(O)cc3)CC=C(C)C)COc1c2cc2c(OC(C=C2)(C)C)c1
SMART[H]OC1=C(C2=C(C([H])=C1[H])[C@]1(O[H])C([H])([H])OC3=C(C([H])=C4C([H])=C([H])[C@](OC4=C3[H])(C([H])([H])[H])C([H])([H])[H])[C@]1(O[H])O2)C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[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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