NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound2-methyl-1,3,6-trihydroxyanthraquinone
NPACT-IdNPACT01074
IUPAC-
Synonyms1,3,6-trihydroxy-2-methylanthracene-9,10-dione
PubChem Id5319801
ClassPolycyclic aromatic natural products
In-vitro anticancer activity 3 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyJKJVBHYKKRDSPP-UHFFFAOYSA-N
InChi1S/C15H10O5/c1-6-11(17)5-10-12(13(6)18)15(20)8-3-2-7(16)4-9(8)14(10)19/h2-5,16-18H,1H3
SMILESOc1c2c(C(=O)c3c(C2=O)ccc(O)c3)cc(O)c1C
SMART[H]OC1=C([H])C2=C(C([H])=C1[H])C(=O)C1=C(O[H])C(=C(O[H])C([H])=C1C2=O)C([H])([H])[H]
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
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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