NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound13(R)-14(R)-hydroxyantofine-N-oxide
NPACT-IdNPACT01423
IUPAC(13aR,14R)-2,3,6-trimethoxy-10-oxido-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizin-10-ium-14-ol
Synonyms-
PubChem Id11741391
ClassAlkaloids
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyLDYKNAJDTNPEPC-DHFLCVKNSA-N
InChi1S/C23H25NO5/c1-27-13-6-7-14-15(9-13)16-10-20(28-2)21(29-3)11-17(16)22-18(14)12-24(26)8-4-5-19(24)23(22)25/h6-7,9-11,19,23,25H,4-5,8,12H2,1-3H3/t19-,23+,24?/m1/s1
SMILES[O-][N+]12[C@H](CCC1)[C@H](O)c1c(C2)c2c(c3c1cc(OC)c(OC)c3)cc(OC)cc2
SMART[#6]OC1=CC2=C(C=C1)C1=C([C@@H](O)[C@H]3CCC[N+]3([O-])C1)C1=CC(O[#6])=C(O[#6])C=C21
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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