NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
Compound17-epi-Holacurtine
NPACT-IdNPACT01478
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 KeyVPLNNEMLBWLRFQ-SXKKNLNJSA-N
InChi1S/C29H49NO5/c1-17(31)21-11-14-29(32)23-8-7-19-15-20(9-12-27(19,3)22(23)10-13-28(21,29)4)35-25-16-24(33-6)26(30-5)18(2)34-25/h18-26,30,32H,7-16H2,1-6H3/t18?,19-,20-,21-,22-,23+,24?,25?,26?,27-,28+,29-/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)NC)OC
SMART[H][C@]1(CC[C@]2(O)[C@]3([H])CC[C@@]4([H])C[C@H](CC[C@]4([#6])[C@@]3([H])CC[C@]12[#6])OC1([H])CC([H])(O[#6])C([H])(N[#6])C([#6])O1)C([#6])=O
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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