NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
Compound(-)-Secoisolariciresinol
NPACT-IdNPACT00005
IUPAC(2R,3R)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]butane-1,4-diol
SynonymsSecoisolariciresinol
PubChem Id65373
ClassLignans
In-vitro anticancer activity 2 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyPUETUDUXMCLALY-HOTGVXAUSA-N
InChi1S/C20H26O6/c1-25-19-9-13(3-5-17(19)23)7-15(11-21)16(12-22)8-14-4-6-18(24)20(10-14)26-2/h3-6,9-10,15-16,21-24H,7-8,11-12H2,1-2H3/t15-,16-/m0/s1
SMILESOC[C@@H]([C@@H](Cc1cc(OC)c(O)cc1)CO)Cc1cc(OC)c(O)cc1
SMART[H]OC1=C(OC([H])([H])[H])C([H])=C(C([H])=C1[H])C([H])([H])[C@@]([H])(C([H])([H])O[H])[C@]([H])(C([H])([H])O[H])C([H])([H])C1=C([H])C(OC([H])([H])[H])=C(O[H])C([H])=C1[H]
CAS No.29388-59-8
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C060283
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, Ambinter, NIH Clinical Collection, R&D Chemicals, Sigma-Aldrich, 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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