NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundCitral
NPACT-IdNPACT01175
IUPAC-
Synonymstrans-Citral;Lemsyn GB;geranal;geranialdehyde;Citral a;3,7-Dimethyl-2,6-octadienal
PubChem Id638011
ClassTerpenoids
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyWTEVQBCEXWBHNA-JXMROGBWSA-N
InChi1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7+
SMILESO=C/C=C(/CCC=C(C)C)C
SMART[H]C(=O)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.5392-40-5
Structure
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Cross Refrence in other databases
Super Natural   000141275
CTD   C007076
HIT   C0191
NCI-60 GI50 data   -
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Drug-Likeliness Filters Lipinski's rule of five   Yes
Ghose filter   No
Veber filter   Yes
Muegge Filter   No
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