NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundBlepharocalyxins D
NPACT-IdNPACT00342
IUPAC(E)-1-[2,4-dihydroxy-3-[(2S,3R,4R,6S)-3-[(E,1S,5S)-5-hydroxy-1,
Synonyms-
PubChem Id9985898
ClassFlavonoid
In-vitro anticancer activity 2 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyNEVDYTIAHUSATO-LEGNDWSYSA-N
InChi1S/C38H40O6/c39-30-13-2-25(3-14-30)1-10-29-23-34(21-8-26-4-15-31(40)16-5-26)43-36-24-35(22-9-27-6-17-32(41)18-7-27)44-38(37(29)36)28-11-19-33(42)20-12-28/h1-7,10-20,29,34-42H,8-9,21-24H2/b10-1+/t29-,34+,35+,36-,37+,38-/m1/s1
SMILESO1[C@H]2[C@H]([C@@H](C[C@@H]1CCc1ccc(O)cc1)/C=C/c1ccc(O)cc1)[C@H](O[C@H](C2)CCc1ccc(O)cc1)c1ccc(O)cc1
SMART[H]OC1=C([H])C([H])=C(C([H])=C(/[H])[C@]2([H])C([H])([H])[C@@]([H])(O[C@]3([H])C([H])([H])[C@@]([H])(O[C@]([H])(C4=C([H])C([H])=C(O[H])C([H])=C4[H])[C@@]23[H])C([H])([H])C([H])([H])C2=C([H])C([H])=C(O[H])C([H])=C2[H])C([H])([H])C([H])([H])C2=C([H])C([H])=C(O[H])C([H])=C2[H])C([H])=C1[H]
CAS No.294855-52-0
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   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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