NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundLariciresinol
NPACT-IdNPACT00706
IUPAC4-[[(3R,4R,5S)-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methyl]-2-methoxyphenol
Synonyms(+)-Lariciresinol
PubChem Id332427
ClassLignans
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyMHXCIKYXNYCMHY-AUSJPIAWSA-N
InChi1S/C20H24O6/c1-24-18-8-12(3-5-16(18)22)7-14-11-26-20(15(14)10-21)13-4-6-17(23)19(9-13)25-2/h3-6,8-9,14-15,20-23H,7,10-11H2,1-2H3/t14-,15-,20+/m0/s1
SMILESO1[C@@H]([C@H]([C@H](C1)Cc1cc(OC)c(O)cc1)CO)c1cc(OC)c(O)cc1
SMART[H]OC1=C(OC([H])([H])[H])C([H])=C(C([H])=C1[H])C([H])([H])[C@@]1([H])C([H])([H])O[C@]([H])(C2=C([H])C(OC([H])([H])[H])=C(O[H])C([H])=C2[H])[C@@]1([H])C([H])([H])O[H]
CAS No.27003-73-2
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C060282
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, Ambinter, R&D Chemicals, 
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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