NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundLimocitrin 3,5,7,4'-tetramethyl ether
NPACT-IdNPACT00712
IUPAC2-(3,4-dimethoxyphenyl)-3,5,7,8-tetramethoxychromen-4-one
SynonymsGossypetin hexamethyl ether
PubChem Id146093
ClassFlavonoid
In-vitro anticancer activity 6 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyXBZIUXVIWRAJKB-UHFFFAOYSA-N
InChi1S/C21H22O8/c1-23-12-8-7-11(9-13(12)24-2)18-21(28-6)17(22)16-14(25-3)10-15(26-4)19(27-5)20(16)29-18/h7-10H,1-6H3
SMILESo1c2c(c(=O)c(OC)c1c1cc(OC)c(OC)cc1)c(OC)cc(OC)c2OC
SMART[#6]OC1=CC(O[#6])=C(O[#6])C2=C1C(=O)C(O[#6])=C(O2)C1=CC(O[#6])=C(O[#6])C=C1
CAS No.7741-47-1
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, ChemFrog, 
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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