NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound13(R)-antofine-N-oxide
NPACT-IdNPACT01401
IUPAC(13aR)-2,3,6-trimethoxy-10-oxido-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizin-10-ium
Synonyms-
PubChem Id10339670
ClassAlkaloids
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyMUSNTDDWXDJEFG-GMBBYQRISA-N
InChi1S/C23H25NO4/c1-26-15-6-7-16-18(10-15)20-12-23(28-3)22(27-2)11-19(20)17-9-14-5-4-8-24(14,25)13-21(16)17/h6-7,10-12,14H,4-5,8-9,13H2,1-3H3/t14-,24?/m1/s1
SMILES[O-][N+]12[C@H](CCC1)Cc1c(C2)c2c(c3c1cc(OC)c(OC)c3)cc(OC)cc2
SMART[#6]OC1=CC2=C(C=C1)C1=C(C[C@H]3CCC[N+]3([O-])C1)C1=CC(O[#6])=C(O[#6])C=C21
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.