NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundIsoxanthohumol
NPACT-IdNPACT01244
IUPAC-
SynonymsIsoxanthohumol(Sophora);7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one;4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methyl-2-butenyl)-;7-Hydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methyl-2-butenyl)-2,3-dihydro-4H-chromen-4-one
PubChem Id513197
ClassFlavonoid
In-vitro anticancer activity 2 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyYKGCBLWILMDSAV-UHFFFAOYSA-N
InChi1S/C21H22O5/c1-12(2)4-9-15-16(23)10-19(25-3)20-17(24)11-18(26-21(15)20)13-5-7-14(22)8-6-13/h4-8,10,18,22-23H,9,11H2,1-3H3
SMILESO1C(CC(=O)c2c1c(CC=C(C)C)c(O)cc2OC)c1ccc(O)cc1
SMART[H]OC1=C([H])C([H])=C(C([H])=C1[H])[C@]1([H])OC2=C(C(O[H])=C([H])C(OC([H])([H])[H])=C2C(=O)C1([H])[H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H]
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C512910
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, Ambinter, 
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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