NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundMachilin F
NPACT-IdNPACT00735
IUPAC4-[(2R,3R,4S,5S)-5-(1,3-benzodioxol-5-yl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol
Synonyms-
PubChem Id10450045
ClassLignans
In-vitro anticancer activity 2 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyJPDORDSJPIKURD-VTLGYEHRSA-N
InChi1S/C20H22O5/c1-11-12(2)20(14-5-7-16-18(9-14)24-10-23-16)25-19(11)13-4-6-15(21)17(8-13)22-3/h4-9,11-12,19-21H,10H2,1-3H3/t11-,12+,19-,20+/m1/s1
SMILESO1[C@@H]([C@H]([C@H]([C@@H]1c1cc(OC)c(O)cc1)C)C)c1cc2OCOc2cc1
SMART[#6]OC1=C(O)C=CC(=C1)[C@@H]1O[C@@H]([C@@H]([#6])[C@H]1[#6])C1=CC2=C(OCO2)C=C1
CAS No.-
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   Yes
Ghose filter   Yes
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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