NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compoundtaiwanin A
NPACT-IdNPACT01410
IUPAC(3E,4E)-3,4-bis(1,3-benzodioxol-5-ylmethylidene)oxolan-2-one
Synonyms-
PubChem Id10937021
ClassLignans
In-vitro anticancer activtiy 3 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyYBTVCUSZMGXJNW-YOENDLTHSA-N
InChi1S/C20H14O6/c21-20-15(6-13-2-4-17-19(8-13)26-11-24-17)14(9-22-20)5-12-1-3-16-18(7-12)25-10-23-16/h1-8H,9-11H2/b14-5-,15-6+
SMILESO1C/C(=C/c2cc3OCOc3cc2)/C(=Cc2cc3OCOc3cc2)/C1=O
SMARTO=C1OCC(=CC2=CC3=C(OCO3)C=C2)C1=C/C1=CC2=C(OCO2)C=C1
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C419332
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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