NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundDysosmarol
NPACT-IdNPACT00518
IUPAC4-[(2R,3S,4S)-4-[(S)-hydroxy-(3-hydroxy-5-methoxyphenyl)methyl]-3-(hydroxymethyl)oxolan-2-yl]-2-methoxyphenol
Synonyms-
PubChem Id16109834
ClassLignans
In-vitro anticancer activtiy 2 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyPMLAAAIZDRPWMW-SMOSDQRPSA-N
InChi1S/C20H24O7/c1-25-14-6-12(5-13(22)8-14)19(24)16-10-27-20(15(16)9-21)11-3-4-17(23)18(7-11)26-2/h3-8,15-16,19-24H,9-10H2,1-2H3/t15-,16-,19-,20+/m1/s1
SMILESO1[C@H]([C@@H]([C@@H](C1)[C@H](O)c1cc(OC)cc(O)c1)CO)c1cc(OC)c(O)cc1
SMART[H]OC1=C([H])C(OC([H])([H])[H])=C([H])C(=C1[H])[C@@]([H])(O[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.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C518556
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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