NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundRhinacanthin D
NPACT-IdNPACT00909
IUPAC[3-(1-hydroxy-3,4-dioxonaphthalen-2-yl)-2,2-dimethylpropyl]1,3-benzodioxole-5-carboxylate
Synonyms-
PubChem Id465430
ClassPolycyclic aromatic natural products
In-vitro anticancer activity 5 cancer cell lines
In-Vivo anticancer activity No
TargetsPTGER3 |   All | 
Properties Physical   Elemental  Topological
InChi KeyOBJIGRUMXMZJRX-UHFFFAOYSA-N
InChi1S/C23H20O7/c1-23(2,11-28-22(27)13-7-8-17-18(9-13)30-12-29-17)10-16-19(24)14-5-3-4-6-15(14)20(25)21(16)26/h3-9,24H,10-12H2,1-2H3
SMILESO(CC(CC1=C(O)c2c(C(=O)C1=O)cccc2)(C)C)C(=O)c1cc2OCOc2cc1
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)C1=C([H])C2=C(OC([H])([H])O2)C([H])=C1[H]
CAS No.179461-46-2
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C545500
HIT   -
NCI-60 GI50 data   -
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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