NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundRhinacanthin C
NPACT-IdNPACT00908
IUPAC[3-(1-hydroxy-3,4-dioxonaphthalen-2-yl)-2,2-dimethylpropyl](2E,6E)-2,6-dimethylocta-2,6-dienoate
Synonyms-
PubChem Id6474554
ClassPolycyclic aromatic natural products
In-vitro anticancer activity 5 cancer cell lines
In-Vivo anticancer activity No
TargetsCASP3 | COX-2 | PTGER3 |   All | 
Properties Physical   Elemental  Topological
InChi KeyCEPGYONTKGWENW-QIGLBIQCSA-N
InChi1S/C25H30O5/c1-6-16(2)10-9-11-17(3)24(29)30-15-25(4,5)14-20-21(26)18-12-7-8-13-19(18)22(27)23(20)28/h6-8,11-13,26H,9-10,14-15H2,1-5H3/b16-6+,17-11+
SMILESO(CC(CC1=C(O)c2c(C(=O)C1=O)cccc2)(C)C)C(=O)/C(=C/CC/C(=C/C)/C)/C
SMART[H]OC1=C(C(=O)C(=O)C2=C([H])C([H])=C([H])C([H])=C12)C([H])([H])[C@](C([H])([H])[H])(C([H])([H])[H])C([H])([H])OC(=O)C(=C(/[H])C([H])([H])C([H])([H])C(=C(/[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   C515073
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, 
Drug-Likeliness Filters Lipinski's rule of five   No
Ghose filter   No
Veber filter   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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