NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundPhenoxodiol
NPACT-IdNPACT00857
IUPAC3-(4-hydroxyphenyl)-2H-chromen-7-ol
SynonymsPhenoxodiol,Idronoxil,Haginin E;dehydroequol
PubChem Id219100
ClassFlavonoid
In-vitro anticancer activity 3 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyZZUBHVMHNVYXRR-UHFFFAOYSA-N
InChi1S/C15H12O3/c16-13-4-1-10(2-5-13)12-7-11-3-6-14(17)8-15(11)18-9-12/h1-8,16-17H,9H2
SMILESO1CC(=Cc2c1cc(O)cc2)c1ccc(O)cc1
SMART[H]OC1=C([H])C([H])=C(C([H])=C1[H])C1=C([H])C2=C(OC1([H])[H])C([H])=C(O[H])C([H])=C2[H]
CAS No.81267-65-4
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C471183
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, Ambinter, ChemExper Chemical Directory, ChemMol, IS Chemical Technology, ZINC, 
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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