NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundBisabolene
NPACT-IdNPACT00336
IUPAC(4Z)-1-methyl-4-(6-methylhept-5-en-2-ylidene)cyclohexene
SynonymsLEVOMENOL;alpha-Bisabolol;epi-.alpha.-Bisabolol;6-epi-.alpha.-Bisabolol;7-epi-.alpha.-Bisabolol;6-Methyl-2-(4-methyl-3-cyclohexen-1-yl)-5-hepten-2-ol;
PubChem Id10586
ClassTerpenoids
In-vitro anticancer activtiy 2 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyRGZSQWQPBWRIAQ-UHFFFAOYSA-N
InChi1S/C15H26O/c1-12(2)6-5-11-15(4,16)14-9-7-13(3)8-10-14/h6-7,14,16H,5,8-11H2,1-4H3
SMILESO[C@]([C@@H]1CCC(=CC1)C)(CCC=C(C)C)C
SMART[H]O[C@@](C([H])([H])[H])(C([H])([H])C([H])([H])C([H])=C(/C([H])([H])[H])C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])C1([H])[H]
CAS No.515-69-5
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, AKos Consulting & Solutions, Amadis Chemical, Ambinter, ChemFrog, ChemMol, MolPort, Sigma-Aldrich, TCI (Tokyo Chemical Industry), Vitas-M Laboratory, 
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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