NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound(-)-usnic acid
NPACT-IdNPACT01039
IUPAC-
Synonyms(S)-Usnic acid;(S)-usnate;(+)-Usniacin, D-Usnic acid;2,6-Diacetyl-7,9-dihydroxy-8,9b-dimethyldibenzofuran-1,3(2H,9bH)-dione;(+)-Usniacin;(9bS)-2,6-diacetyl-3,7,9-trihydroxy-8,9b-dimethyldibenzofuran-1-one;
PubChem Id442614
ClassBenzofuranoids
In-vitro anticancer activity 6 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyWEYVVCKOOFYHRW-GOSISDBHSA-N
InChi1S/C18H16O7/c1-6-14(22)12(8(3)20)16-13(15(6)23)18(4)10(25-16)5-9(21)11(7(2)19)17(18)24/h5,21-23H,1-4H3/t18-/m1/s1
SMILESO1C2=CC(=C(C(=O)[C@]2(c2c1c(c(O)c(c2O)C)C(=O)C)C)C(=O)C)O
SMART[H]OC1=C(C(=O)C([H])([H])[H])C(=O)[C@@]2(C(OC3=C(C(=O)C([H])([H])[H])C(O[H])=C(C(O[H])=C23)C([H])([H])[H])=C1[H])C([H])([H])[H]
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   000125462
CTD   C073339
HIT   C0290
NCI-60 GI50 data   -
Suppliers ABI Chem, AKos Consulting & Solutions, Ambinter, IS Chemical Technology, MolPort, Selleck Chemicals, Sigma-Aldrich, Vitas-M Laboratory, 
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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