NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundFalcarinol
NPACT-IdNPACT00574
IUPAC(3S,9Z)-heptadeca-1,9-dien-4,6-diyn-3-ol
Synonyms1,9-Heptadecadiene-4,6-diyn-3-ol;(+)-Falcarinol;(3S,9Z)-1,9-Heptadecadiene-4,6-diyn-3-o
PubChem Id5469789
ClassAliphatic natural products
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity Yes
TargetsCASP3 |   All | 
Properties Physical   Elemental  Topological
InChi KeyUGJAEDFOKNAMQD-MQNTZWLQSA-N
InChi1S/C17H24O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h4,10-11,17-18H,2-3,5-9,12H2,1H3/b11-10-/t17-/m0/s1
SMILESO[C@H](C#CC#CC/C=CCCCCCCC)C=C
SMART[H]O[C@]([H])(C#CC#CC([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])=C(/[H])[H]
CAS No.81203-57-8
Structure
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Cross Refrence in other databases
Super Natural   055297875
CTD   C018541
HIT   C0094
NCI-60 GI50 data   -
Suppliers ABI Chem, 
Drug-Likeliness Filters Lipinski's rule of five   No
Ghose filter   Yes
Veber filter   No
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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