NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundDiphyllin
NPACT-IdNPACT00512
IUPAC9-(1,3-benzodioxol-5-yl)-4-hydroxy-6,7-dimethoxy-3H-benzo[f][2]benzofuran-1-one
Synonyms-
PubChem Id100492
ClassLignans
In-vitro anticancer activtiy 3 cancer cell lines
In-Vivo anticancer activtiy No
TargetsV-ATPases |   All | 
Properties Physical   Elemental  Topological
InChi KeyVMEJANRODATDOF-UHFFFAOYSA-N
InChi1S/C21H16O7/c1-24-15-6-11-12(7-16(15)25-2)20(22)13-8-26-21(23)19(13)18(11)10-3-4-14-17(5-10)28-9-27-14/h3-7,22H,8-9H2,1-2H3
SMILESO1Cc2c(c(c3c(c2O)cc(OC)c(OC)c3)c2cc3OCOc3cc2)C1=O
SMART[#6]OC1=C(O[#6])C=C2C(=C1)C(O)=C1COC(=O)C1=C2C1=CC2=C(OCO2)C=C1
CAS No.22055-22-7
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C010130
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, AKos Consulting & Solutions, Ambinter, ASINEX, ChemBridge, ChemFrog, MolPort, ZINC, 
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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