NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundDesmethylxanthohumol
NPACT-IdNPACT00497
IUPAC(E)-3-(4-hydroxyphenyl)-1-[2,4,6-trihydroxy-3-(3-methylbut-2-enyl)phenyl]prop-2-en-1-one
Synonyms(E)-3-(4-hydroxyphenyl)-1-[2,4,6-trihydroxy-3-(3-methylbut-2-enyl)phenyl]prop-2-en-1-one
PubChem Id6443339
ClassFlavonoid
In-vitro anticancer activity 2 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyFUSADYLVRMROPL-UXBLZVDNSA-N
InChi1S/C20H20O5/c1-12(2)3-9-15-17(23)11-18(24)19(20(15)25)16(22)10-6-13-4-7-14(21)8-5-13/h3-8,10-11,21,23-25H,9H2,1-2H3/b10-6+
SMILESOc1c(CC=C(C)C)c(O)cc(O)c1C(=O)/C=C/c1ccc(O)cc1
SMART[H]OC1=C([H])C([H])=C(C([H])=C(/[H])C(=O)C2=C(O[H])C([H])=C(O[H])C(=C2O[H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])C([H])=C1[H]
CAS No.115063-39-3
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   No
Ghose filter   No
Veber filter   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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