NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundDendroarboreols A
NPACT-IdNPACT00492
IUPAC(3S,8S,9Z)-heptadeca-9,16-dien-4,6-diyne-3,8-diol
SynonymsDendroarboreol A;(3S,8S,9Z)-heptadeca-9,16-dien-4,6-diyne-3,8-diol
PubChem Id5469787
ClassAliphatic natural products
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyXVWSXBIPJCKJCU-RCQSYPNMSA-N
InChi1S/C17H24O2/c1-3-5-6-7-8-9-10-14-17(19)15-12-11-13-16(18)4-2/h3,10,14,16-19H,1,4-9H2,2H3/b14-10-/t16-,17-/m0/s1
SMILESO[C@@H](/C=CCCCCCC=C)C#CC#C[C@@H](O)CC
SMART[H]O[C@]([H])(C#CC#C[C@@]([H])(O[H])C([H])([H])C([H])([H])[H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])=C(/[H])[H]
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, 
Drug-Likeliness Filters Lipinski's rule of five   Yes
Ghose filter   Yes
Veber filter   No
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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