NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundNerolidol
NPACT-IdNPACT00813
IUPAC(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol
Synonymstrans-Nerolidol; Methylvinylhomogeranyl carbinol
PubChem Id5284507
ClassTerpenoids
In-vitro anticancer activtiy 4 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyFQTLCLSUCSAZDY-SDNWHVSQSA-N
InChi1S/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3/b14-11+
SMILESO[C@](CC/C=C(/CCC=C(C)C)C)(C)C=C
SMART[H]O[C@@](C([H])=C(/[H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H]
CAS No.7212-44-4
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C037055
HIT   -
NCI-60 GI50 data   -
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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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