NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundAgehoustin B
NPACT-IdNPACT01119
IUPAC-
Synonyms5,6,7-trimethoxy-2-(2,3,4,5-tetramethoxyphenyl)chromen-4-one
PubChem Id389484
ClassFlavonoid
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyCNWLLDUECPZGHJ-UHFFFAOYSA-N
InChi1S/C22H24O9/c1-24-15-8-11(18(26-3)22(30-7)20(15)28-5)13-9-12(23)17-14(31-13)10-16(25-2)19(27-4)21(17)29-6/h8-10H,1-7H3
SMILESo1c(c2c(OC)c(OC)c(OC)c(OC)c2)cc(=O)c2c1cc(OC)c(OC)c2OC
SMART[H]C1=C(OC2=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C2C1=O)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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