NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound12-Acetoxy-5-hydroxynerolidol
NPACT-IdNPACT01408
IUPAC[(2E,6E,8R,10S)-8,10-dihydroxy-2,6,10-trimethyldodeca-2,6,11-trienyl]acetate
Synonyms-
PubChem Id10827791
ClassTerpenoids
In-vitro anticancer activity 6 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyRWIWWVYFTIGTBC-LSBUTNNPSA-N
InChi1S/C17H28O4/c1-6-17(5,20)11-16(19)10-13(2)8-7-9-14(3)12-21-15(4)18/h6,9-10,16,19-20H,1,7-8,11-12H2,2-5H3/b13-10+,14-9+/t16-,17+/m0/s1
SMILESO[C@](C[C@@H](O)/C=C(/CC/C=C(/COC(=O)C)C)C)(C)C=C
SMART[#6]C(=O)OCC([#6])=CCCC([#6])=C[C@H](O)C[C@]([#6])(O)C=C
CAS No.-
Structure
Download

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

 






Copyright © 2012. Subhash M. Agagrwal. All Rights Reserved.