NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundAlkylresorcinol C
NPACT-IdNPACT00228
IUPAC3-prop-2-enylsulfinylsulfanylprop-1-ene
Synonyms-
PubChem Id14235913
ClassAliphatic natural products
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyLQLSZSURMCEKFF-HZJYTTRNSA-N
InChi1S/C23H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-22(24)20-23(25)19-21/h6-7,9-10,18-20,24-25H,2-5,8,11-17H2,1H3/b7-6-,10-9-
SMILESOc1cc(CCCCCCC/C=CC/C=CCCCCC)cc(O)c1
SMART[#6]CCCCC=C/CC=C/CCCCCCCC1=CC(O)=CC(O)=C1
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers NA, 
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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