NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundAlkylresorcinol A
NPACT-IdNPACT00226
IUPAC-
Synonyms5-Pentadecylresorcinol;5-pentadecylbenzene-1,3-diol
PubChem Id76617
ClassAliphatic natural products
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyKVVSCMOUFCNCGX-UHFFFAOYSA-N
InChi1S/C21H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-20(22)18-21(23)17-19/h16-18,22-23H,2-15H2,1H3
SMILESOc1cc(CCCCCCCCCCCCCCC)cc(O)c1
SMART[#6]CCCCCCCCCCCCCCC1=CC(O)=CC(O)=C1
CAS No.3158-56-3
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers AAA Chemistry, ABI Chem, ChemFrog, 
Drug-Likeliness Filters Lipinski's rule of five   No
Ghose filter   No
Veber filter   No
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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