NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundLycopene
NPACT-IdNPACT00731
IUPAC(6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene
SynonymsLycopene 7
PubChem Id446925
ClassTerpenoids
In-vitro anticancer activtiy 1 cancer cell lines
In-Vivo anticancer activtiy No
TargetsABCA1 | NR1H3 | PPARG |   All | 
Properties Physical   Elemental  Topological
InChi KeyOAIJSZIZWZSQBC-GYZMGTAESA-N
InChi1S/C40H56/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-22,25-32H,13-14,23-24H2,1-10H3/b12-11+,25-15+,26-16+,31-17+,32-18+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+
SMILESC(CC=C(C)C)/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(/CCC=C(C)C)C)C)C)/C)/C)/C
SMART[H]/C(=C(/[H])C([H])=C(C([H])=C(/[H])C([H])=C(C([H])=C(/[H])C([H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(/C([H])([H])[H])C([H])([H])[H])/C([H])([H])[H])/C([H])([H])[H])/C(/[H])=C(/C(/[H])=C([H])/C(/[H])=C(/C(/[H])=C([H])/C(/[H])=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(/C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C015329
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, Ambinter, ChemMol, Hangzhou APIChem Technology, Hangzhou Trylead Chemical Technology, R&D Chemicals, Sigma-Aldrich, 
Drug-Likeliness Filters Lipinski's rule of five   No
Ghose filter   No
Veber filter   No
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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