NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound5-desmethylsinensetin
NPACT-IdNPACT00173
IUPAC2-(3,4-dimethoxyphenyl)-5-hydroxy-6,7-dimethoxychromen-4-one
Synonyms-
PubChem Id152430
ClassFlavonoid
In-vitro anticancer activity 6 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyQEWSAPKRFOFQIU-UHFFFAOYSA-N
InChi1S/C19H18O7/c1-22-12-6-5-10(7-14(12)23-2)13-8-11(20)17-15(26-13)9-16(24-3)19(25-4)18(17)21/h5-9,21H,1-4H3
SMILESo1c2c(c(O)c(OC)c(OC)c2)c(=O)cc1c1cc(OC)c(OC)cc1
SMART[#6]OC1=C(O[#6])C=C(C=C1)C1=CC(=O)C2=C(O)C(O[#6])=C(O[#6])C=C2O1
CAS No.21763-80-4
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, 
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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