NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundNatsudaidain
NPACT-IdNPACT00801
IUPAC2-(3,4-dimethoxyphenyl)-3-hydroxy-5,6,7,8-tetramethoxychromen-4-one
Synonyms-
PubChem Id3084605
ClassFlavonoid
In-vitro anticancer activity 4 cancer cell lines
In-Vivo anticancer activity No
TargetsCOX-2 | MAPK1 | TNF |   All | 
Properties Physical   Elemental  Topological
InChi KeyCCJBNIRSVUKABH-UHFFFAOYSA-N
InChi1S/C21H22O9/c1-24-11-8-7-10(9-12(11)25-2)16-15(23)14(22)13-17(26-3)19(27-4)21(29-6)20(28-5)18(13)30-16/h7-9,23H,1-6H3
SMILESo1c2c(c(OC)c(OC)c(OC)c2OC)c(=O)c(O)c1c1cc(OC)c(OC)cc1
SMART[H]OC1=C(OC2=C(C1=O)C(OC([H])([H])[H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C2OC([H])([H])[H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C1[H]
CAS No.35154-55-3?
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C092904
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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