NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundN-(4-hydroxyundecanoyl)anabasine
NPACT-IdNPACT00794
IUPAC4-hydroxy-1-(2-pyridin-3-ylpiperidin-1-yl)undecan-1-one
SynonymsN-Ohanabas
PubChem Id124256
ClassAlkaloids
In-vitro anticancer activity 2 cancer cell lines
In-Vivo anticancer activity No
TargetsCYP19A1 |   All | 
Properties Physical   Elemental  Topological
InChi KeyRDBZQGFWNLAFAT-UHFFFAOYSA-N
InChi1S/C21H34N2O2/c1-2-3-4-5-6-11-19(24)13-14-21(25)23-16-8-7-12-20(23)18-10-9-15-22-17-18/h9-10,15,17,19-20,24H,2-8,11-14,16H2,1H3
SMILESO=C(N1[C@H](CCCC1)c1cccnc1)CC[C@@H](O)CCCCCCC
SMART[#6]CCCCCC[C@H](O)CCC(=O)N1CCCC[C@@H]1C1=CN=CC=C1
CAS No.133201-45-3
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C085877
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, 
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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