NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundAgehoustin A
NPACT-IdNPACT01118
IUPAC-
Synonyms5,6,7,8-tetramethoxy-2-(2,3,4,5-tetramethoxyphenyl)chromen-4-one
PubChem Id389483
ClassFlavonoid
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyFQTCPUGUEKKPCH-UHFFFAOYSA-N
InChi1S/C23H26O10/c1-25-14-9-11(16(26-2)20(29-5)17(14)27-3)13-10-12(24)15-18(28-4)21(30-6)23(32-8)22(31-7)19(15)33-13/h9-10H,1-8H3
SMILESo1c2c(c(OC)c(OC)c(OC)c2OC)c(=O)cc1c1c(OC)c(OC)c(OC)c(OC)c1
SMART[H]C1=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(OC([H])([H])[H])=C1OC([H])([H])[H]
CAS No.-
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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