NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundAculeatol E
NPACT-IdNPACT00217
IUPAC(2R,4R,6S,8R,9S)-2,9-dihydroxy-4-tridecyl-5,7-dioxadispiro[5.1.58.26]pentadec-12-en-11-one
Synonyms-
PubChem Id24853674
ClassOxygen heterocycles
In-vitro anticancer activity 3 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyUBFNRKJKPNNCHD-JMTTVTNBSA-N
InChi1S/C26H44O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-23-18-22(28)20-26(30-23)17-16-25(31-26)15-14-21(27)19-24(25)29/h14-15,22-24,28-29H,2-13,16-20H2,1H3/t22-,23-,24+,25+,26+/m1/s1
SMILESO1[C@@]2(O[C@@H](C[C@@H](O)C2)CCCCCCCCCCCCC)CC[C@]21[C@@H](O)CC(=O)C=C2
SMART[H]O[C@]1([H])C([H])([H])[C@]([H])(O[C@@]2(O[C@@]3(C([H])=C([H])C(=O)C([H])([H])[C@]3([H])O[H])C([H])([H])C2([H])[H])C1([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers NA, 
Drug-Likeliness Filters Lipinski's rule of five   No
Ghose filter   No
Veber filter   No
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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