NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundBlepharocalyxins C
NPACT-IdNPACT00341
IUPAC4-[2-[(2S,4S,4aS,5S,7S,8aR)-5-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-7-[2-(4-hydroxyphenyl)ethyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyran-2-yl]ethyl]phenol
Synonyms-
PubChem Id11801874
ClassFlavonoid
In-vitro anticancer activtiy 2 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyOCGXHNIZNJTINO-XKXZSYDMSA-N
InChi1S/C38H42O7/c39-30-13-2-25(3-14-30)1-10-29(23-34(43)19-8-26-4-15-31(40)16-5-26)37-36(44)24-35(22-9-27-6-17-32(41)18-7-27)45-38(37)28-11-20-33(42)21-12-28/h1-7,10-18,20-21,29,34-44H,8-9,19,22-24H2/b10-1+/t29-,34+,35+,36+,37+,38-/m1/s1
SMILESO1[C@@H]([C@H]([C@@H](O)C[C@@H]1CCc1ccc(O)cc1)[C@@H](C[C@@H](O)CCc1ccc(O)cc1)/C=C/c1ccc(O)cc1)c1ccc(O)cc1
SMART[H]OC1=C([H])C([H])=C(C([H])=C(/[H])[C@]([H])(C([H])([H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C2=C([H])C([H])=C(O[H])C([H])=C2[H])[C@]2([H])[C@]([H])(O[C@@]([H])(C([H])([H])C([H])([H])C3=C([H])C([H])=C(O[H])C([H])=C3[H])C([H])([H])[C@]2([H])O[H])C2=C([H])C([H])=C(O[H])C([H])=C2[H])C([H])=C1[H]
CAS No.294855-51-9
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   No
Ghose filter   No
Veber filter   No
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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