NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound(7S,8S,7'S,8'S)-3,3',4'-trihydroxy-4-methoxy-7,7'-epoxylignan
NPACT-IdNPACT01420
IUPAC4-[(2S,3S,4S,5S)-5-(3-hydroxy-4-methoxyphenyl)-3,4-dimethyloxolan-2-yl]benzene-1,2-diol
Synonyms-
PubChem Id11336474
ClassLignans
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyXEYABMSDSCEFHX-GTXVLXIYSA-N
InChi1S/C19H22O5/c1-10-11(2)19(13-5-7-17(23-3)16(22)9-13)24-18(10)12-4-6-14(20)15(21)8-12/h4-11,18-22H,1-3H3/t10-,11-,18-,19-/m0/s1
SMILESO1[C@@H]([C@H]([C@@H]([C@H]1c1cc(O)c(O)cc1)C)C)c1cc(O)c(OC)cc1
SMART[#6]OC1=C(O)C=C(C=C1)[C@H]1O[C@@H]([C@@H]([#6])[C@@H]1[#6])C1=CC(O)=C(O)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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