NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundVaccinperoxypyran
NPACT-IdNPACT01003
IUPAC5-ethyl-6-[[5-ethyl-3-[(Z)-pent-1-enyl]-3,4-dihydro-2H-pyran-6-yl]peroxy]-3-[(Z)-pent-1-enyl]-3,4-dihydro-2H-pyran
Synonyms-
PubChem Id16084715
ClassUnknown
In-vitro anticancer activity 2 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyTVZDQILKMVXSCD-XSYHWHKQSA-N
InChi1S/C24H38O4/c1-5-9-11-13-19-15-21(7-3)23(25-17-19)27-28-24-22(8-4)16-20(18-26-24)14-12-10-6-2/h11-14,19-20H,5-10,15-18H2,1-4H3/b13-11-,14-12-
SMILESO1C[C@@H](CC(=C1OOC1=C(C[C@H](CO1)/C=CCCC)CC)CC)/C=CCCC
SMART[#6]CCC=C/[C@H]1COC(OOC2=C(C[#6])C[C@H](CO2)C=C/CC[#6])=C(C[#6])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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