NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundRhyncophylline
NPACT-IdNPACT00919
IUPACmethyl(E)-2-[(3R,6'R,7'S,8'aS)-6'-ethyl-2-oxospiro[1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizine]-7'-yl]-3-methoxyprop-2-enoate
SynonymsRhynchophylline;methyl(E)-2-[(3R,6'R,7'S,8'aS)-6'-ethyl-2-oxospiro[1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizine]-7'-yl]-3-methoxyprop-2-enoate
PubChem Id5281408
ClassAlkaloids
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNOS2 | TNF |   All | 
Properties Physical   Elemental  Topological
InChi KeyDAXYUDFNWXHGBE-KAXDATADSA-N
InChi1S/C22H28N2O4/c1-4-14-12-24-10-9-22(17-7-5-6-8-18(17)23-21(22)26)19(24)11-15(14)16(13-27-2)20(25)28-3/h5-8,13-15,19H,4,9-12H2,1-3H3,(H,23,26)/b16-13+/t14-,15-,19-,22+/m0/s1
SMILESO=C1Nc2c([C@@]31[C@H]1N(CC3)C[C@@H]([C@H](C1)/C(=COC)/C(=O)OC)CC)cccc2
SMART[H]N1C(=O)[C@@]2(C3=C([H])C([H])=C([H])C([H])=C13)C([H])([H])C([H])([H])[N@@]1C([H])([H])[C@]([H])(C([H])([H])C([H])([H])[H])[C@@]([H])(C(=C([H])OC([H])([H])[H])C(=O)OC([H])([H])[H])C([H])([H])[C@@]21[H]
CAS No.76-66-4
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C052714
HIT   C0077
NCI-60 GI50 data   -
Suppliers ABI Chem, Ambinter, Hangzhou Trylead Chemical Technology, IS Chemical Technology, 
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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