NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compoundmeso-(rel 7S,8S,7'S,8'S)-3,4,3',4'-tetrahydroxy-7,7'-epoxylignan
NPACT-IdNPACT01417
IUPAC4-[(2S,3S,4R,5R)-5-(3,4-dihydroxyphenyl)-3,4-dimethyloxolan-2-yl]benzene-1,2-diol
Synonyms-
PubChem Id11243993
ClassLignans
In-vitro anticancer activtiy 1 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyUOYOHSSZOSFAOQ-MOGXELDJSA-N
InChi1S/C18H20O5/c1-9-10(2)18(12-4-6-14(20)16(22)8-12)23-17(9)11-3-5-13(19)15(21)7-11/h3-10,17-22H,1-2H3/t9-,10+,17-,18+
SMILESO1[C@H]([C@@H]([C@@H]([C@H]1c1cc(O)c(O)cc1)C)C)c1cc(O)c(O)cc1
SMART[#6][C@H]1[C@@H]([#6])[C@@H](O[C@@H]1C1=CC(O)=C(O)C=C1)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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