NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundPsychorubrin
NPACT-IdNPACT00885
IUPAC3-hydroxy-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione
Synonyms3-Hydroxy-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione
PubChem Id130629
ClassPolycyclic aromatic natural products
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyREQISTGTAMMJHO-UHFFFAOYSA-N
InChi1S/C13H10O4/c14-11-5-9-10(6-17-11)13(16)8-4-2-1-3-7(8)12(9)15/h1-4,11,14H,5-6H2
SMILESO1[C@H](O)CC2=C(C1)C(=O)c1c(C2=O)cccc1
SMART[H]O[C@@]1([H])OC([H])([H])C2=C(C(=O)C3=C([H])C([H])=C([H])C([H])=C3C2=O)C1([H])[H]
CAS No.110271-41-5
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C054001
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, ChemFrog, 
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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