NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundVincamine
NPACT-IdNPACT01006
IUPAC-
SynonymsEpivincamine; VINCAMINE EPIMERES; eburnamenine-14-carboxylic acid, 14,15-dihydro-14-hydroxy-, methyl ester
PubChem Id637570
ClassAlkaloids
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNOS2 | TNF |   All | 
Properties Physical   Elemental  Topological
InChi KeyRXPRRQLKFXBCSJ-HLAWJBBLSA-N
InChi1S/C21H26N2O3/c1-3-20-10-6-11-22-12-9-15-14-7-4-5-8-16(14)23(17(15)18(20)22)21(25,13-20)19(24)26-2/h4-5,7-8,18,25H,3,6,9-13H2,1-2H3/t18-,20+,21-/m1/s1
SMILESO[C@@]1(n2c3[C@H]4N(CCC[C@]4(C1)CC)CCc3c1c2cccc1)C(=O)OC
SMART[H]O[C@@]1(N2C3=C([H])C([H])=C([H])C([H])=C3C3=C2[C@@]2([H])[N@](C([H])([H])C3([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@@]2(C([H])([H])C([H])([H])[H])C1([H])[H])C(=O)OC([H])([H])[H]
CAS No.1617-90-9
Structure
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Cross Refrence in other databases
Super Natural   001617909
CTD   D014749
HIT   -
NCI-60 GI50 data   1617-90-9
Suppliers ABI Chem, 
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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