NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundAilanquassin A
NPACT-IdNPACT00225
IUPAC5-pentadecylbenzene-1,3-diol
Synonyms-
PubChem Id15432541
ClassTerpenoids
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyQFFKFFIFIWKYEB-MWVFVGDUSA-N
InChi1S/C19H24O7/c1-8-4-12(20)26-15(8)17(3)6-11-18-7-24-19(23,16(17)18)14(22)9(2)10(18)5-13(21)25-11/h4,9-11,14-16,22-23H,5-7H2,1-3H3/t9-,10+,11-,14-,15+,16-,17-,18-,19+/m1/s1
SMILESO1[C@]2(O)[C@H]3[C@@]4([C@H]([C@H]([C@H]2O)C)CC(=O)O[C@@H]4C[C@@]3([C@H]2OC(=O)C=C2C)C)C1
SMART[H]O[C@]1([H])[C@]([H])(C([H])([H])[H])[C@]2([H])C([H])([H])C(=O)O[C@]3([H])C([H])([H])[C@](C([H])([H])[H])([C@@]4([H])OC(=O)C([H])=C4C([H])([H])[H])[C@@]4([H])[C@@]1(O[H])OC([H])([H])[C@@]234
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   Yes
Ghose filter   Yes
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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