NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundNerol
NPACT-IdNPACT00812
IUPAC(2Z)-3,7-dimethylocta-2,6-dien-1-ol
Synonymsnerol; cis-Geraniol; (Z)-Geraniol; Neryl alcohol; (2Z)-3,7-dimethylocta-2,6-dien-1-ol; cis-3,7-Dimethyl-2,6-octadien-1-ol; (Z)-3,7-dimethylocta-2,6-dien-1-ol; 2E-geraniol; Vernol; 3,7-Dimethyl-2,6-octadien-1-ol; Z-Geraniol; 2,6-Dimethyl-trans-2,6-octadien-8-ol; 2-trans-3,7-dimethyl-2,6-octadiene-1-ol; (E)3,7-Dimethyl-Octadien-1-ol; (E)3,7-dimethyl-2,6-Octadien-1-ol; (Z)3,7-dimethyl-2,6-Octadien-1-ol; (2E)3,7-dimethyl-2,6-octadien-1-ol; (2Z)3,7-dimethyl-2,6-octadien-1-ol; (cis)3,7-dimethyl-2,6-Octadien-1-ol; (Z)-3,7-dimethyl-2,6-octadien-1-ol; (2Z)-3,7-dimethyl-1-octa-2,6-dienol; (2Z)-3,7-Dimethyl-2,6-octadien-1-ol; 3,7-Dimethyl-trans-2, 6-octadien-1-ol; (2Z)-3,7-dimethyl-octa-2,6-dien-1-ol
PubChem Id643820
ClassTerpenoids
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyGLZPCOQZEFWAFX-YFHOEESVSA-N
InChi1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7-
SMILESOC/C=C(CCC=C(C)C)/C
SMART[H]OC([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.106-25-2
Structure
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Cross Refrence in other databases
Super Natural   000106252
CTD   C007836
HIT   C0304
NCI-60 GI50 data   -
Suppliers ABI Chem, Amadis Chemical, ChemExper Chemical Directory, Chemical Synthesis Database, Jamson Pharmachem Technology, Sigma-Aldrich, TCI (Tokyo Chemical Industry), 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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