NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundTaxiresinol
NPACT-IdNPACT00970
IUPAC4-[(2S,3R,4R)-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)oxolan-2-yl]benzene-1,2-diol
Synonyms-
PubChem Id10088963
ClassLignans
In-vitro anticancer activity 4 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeySNZZAHRDXCGWEM-CKFHNAJUSA-N
InChi1S/C19H22O6/c1-24-18-7-11(2-4-16(18)22)6-13-10-25-19(14(13)9-20)12-3-5-15(21)17(23)8-12/h2-5,7-8,13-14,19-23H,6,9-10H2,1H3/t13-,14-,19+/m0/s1
SMILESO1[C@@H]([C@H]([C@H](C1)Cc1cc(OC)c(O)cc1)CO)c1cc(O)c(O)cc1
SMART[H]OC1=C(O[H])C([H])=C(C([H])=C1[H])[C@@]1([H])OC([H])([H])[C@]([H])(C([H])([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.40951-69-7
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C483062
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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