NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundCineole
NPACT-IdNPACT00421
IUPAC(E)-3-phenylprop-2-enal
SynonymsEucalyptol;cineole;1,8-Cineole;Cajeputol;1,8-Cineol;1,8-Epoxy-p-menthane;Eucalyptole;Eucapur;Terpan;Zineol;p-Cineole;1,8-Oxido-p-menthane;Cucalyptol;Zedoary oil;1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octane;Eukalyptol;Soledum
PubChem Id2758
ClassTerpenoids
In-vitro anticancer activtiy 1 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyWEEGYLXZBRQIMU-UHFFFAOYSA-N
InChi1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3
SMILESO1[C@@]2(CC[C@H](C1(C)C)CC2)C
SMART[H]C([H])([H])[C@@]1(O[C@]2(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]1([H])C([H])([H])C2([H])[H])C([H])([H])[H]
CAS No.470-82-6
Structure
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Cross Refrence in other databases
Super Natural   000470677
CTD   C010087
HIT   C0316
NCI-60 GI50 data   -
Suppliers ABI Chem, Amadis Chemical, Ambinter, ChemExper Chemical Directory, ChemFrog, ChemMol, Hangzhou APIChem Technology, IS Chemical Technology, MolPort, MP Biomedicals, R&D Chemicals, Sigma-Aldrich, TCI (Tokyo Chemical Industry), TimTec, ZINC, 
Drug-Likeliness Filters Lipinski's rule of five   Yes
Ghose filter   No
Veber filter   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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