NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound9-alpha-Hydroxy-seco-ratiferolide-5-alpha-O-(2-methylbutyrate)
NPACT-IdNPACT01479
IUPAC-
Synonyms-
PubChem Id-
ClassTerpenoids
In-vitro anticancer activtiy 4 cancer cell lines
In-Vivo anticancer activtiy Yes
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyWFHINDLSACGWNX-YMHGJXFMSA-N
InChi1S/C20H28O7/c1-6-8-15(22)20(25)12(5)14(21)9-13-11(4)19(24)26-16(13)17(20)27-18(23)10(3)7-2/h6,8,10,12-14,16-17,21,25H,4,7,9H2,1-3,5H3/b8-6+/t10?,12-,13?,14+,16+,17-,20?/m0/s1
SMILES[C@H]1(C([C@H]([C@H]2C(C[C@H]1O)C(=C)C(=O)O2)OC(=O)C(C)CC)(O)C(=O)/C=C/C)C
SMART[H][C@@]1(O)CC2[C@@H](OC(=O)C2=C)[C@H](OC(=O)C([#6])C[#6])C(O)([C@H]1[#6])C(=O)C=C[#6]
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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