NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundGeraniol
NPACT-IdNPACT00607
IUPAC(2E)-3,7-dimethylocta-2,6-dien-1-ol
SynonymsLemonol; Geranyl alcohol; trans-Geraniol; Geraniol alcohol; (E)-Nerol; Neryl alcohol; 2E-geraniol; t-geraniol
PubChem Id637566
ClassTerpenoids
In-vitro anticancer activtiy 1 cancer cell lines
In-Vivo anticancer activtiy Yes
TargetsBAX | BCL2 | BCL2L2 | BNIP3 | CASP3 | CCND1 | CCNE1 | CDK1 | CDK2 | CDK4 | CDKN1A | CycA | CycB | PSMD9 |   All | 
Properties Physical   Elemental  Topological
InChi KeyGLZPCOQZEFWAFX-JXMROGBWSA-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.106-24-1; 68311-14-8; 8007-13-4
Structure
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Cross Refrence in other databases
Super Natural   000106241
CTD   C007836
HIT   C0304
NCI-60 GI50 data   106-24-1; 68311-14-8; 8007-13-4
Suppliers AAA Chemistry, ABI Chem, Amadis Chemical, Ambinter, Angene International, ChemExper Chemical Directory, IS Chemical Technology, Jamson Pharmachem Technology, MolPort, R&D Chemicals, 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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