NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound17-epi-N-Demethylholacurtine
NPACT-IdNPACT01483
IUPAC-
Synonyms-
PubChem Id-
ClassAlkaloids
In-vitro anticancer activity 2 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyXNPZZOKPHOMJPJ-SUFHSFTFSA-N
InChi1S/C28H47NO5/c1-16(30)20-10-13-28(31)22-7-6-18-14-19(34-24-15-23(32-5)25(29)17(2)33-24)8-11-26(18,3)21(22)9-12-27(20,28)4/h17-25,31H,6-15,29H2,1-5H3/t17?,18-,19-,20-,21-,22+,23?,24?,25?,26-,27+,28-/m0/s1
SMILESC1C[C@@H](C[C@H]2[C@]1([C@@H]1[C@@H](CC2)[C@@]2([C@](CC1)([C@@H](CC2)C(=O)C)C)O)C)OC1CC(C(C(O1)C)[NH])OC
SMART[H]NC1([H])C([#6])OC([H])(CC1([H])O[#6])O[C@H]1CC[C@@]2([#6])[C@@]([H])(CC[C@]3([H])[C@]2([H])CC[C@]2([#6])[C@@]([H])(CC[C@]32O)C([#6])=O)C1
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   No
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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