NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundPolyandrol
NPACT-IdNPACT00874
IUPAC-
Synonyms-
PubChem Id44575526
ClassTerpenoids
In-vitro anticancer activtiy 1 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyIRGXOUHTTCDCTK-ZTJWCXPSSA-N
InChi1S/C19H24O8/c1-7-4-10(20)27-14(7)17(3)5-9-18-6-25-19(24,16(17)18)13(22)8(2)11(18)12(21)15(23)26-9/h4,8-9,11-14,16,21-22,24H,5-6H2,1-3H3/t8-,9-,11-,12-,13-,14+,16-,17-,18+,19+/m1/s1
SMILESO1[C@]2(O)[C@H]3[C@@]4([C@H]([C@H]([C@H]2O)C)[C@@H](O)C(=O)O[C@@H]4C[C@@]3([C@H]2OC(=O)C=C2C)C)C1
SMART[H]O[C@@]1([H])C(=O)O[C@]2([H])C([H])([H])[C@](C([H])([H])[H])([C@@]3([H])OC(=O)C([H])=C3C([H])([H])[H])[C@@]3([H])[C@@]4(O[H])OC([H])([H])[C@@]23[C@]1([H])[C@@]([H])(C([H])([H])[H])[C@@]4([H])O[H]
CAS No.165074-72-6
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C094228
HIT   -
NCI-60 GI50 data   -
Suppliers NA, 
Drug-Likeliness Filters Lipinski's rule of five   Yes
Ghose filter   No
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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