NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundArtobiloxanthone
NPACT-IdNPACT00280
IUPAC6-(2-hydroperoxypropan-2-yl)-3,9-dihydroxy-11-methoxy-10-[(E)-3-methylbut-1-enyl]-6,7-dihydrochromeno[3,2-d][1]benzoxepin-8-one
Synonyms-
PubChem Id46887866
ClassFlavonoid
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNFKB1 |   All | 
Properties Physical   Elemental  Topological
InChi KeyZIYAGIMFLYOZDS-GFCCVEGCSA-N
InChi1S/C25H22O7/c1-10(2)12-7-13-21(29)20-15(27)9-17-11(5-6-25(3,4)32-17)23(20)31-24(13)19-14(26)8-16(28)22(30)18(12)19/h5-6,8-9,12,26-28,30H,1,7H2,2-4H3/t12-/m1/s1
SMILESo1c2c(C[C@@H](c3c2c(O)cc(O)c3O)C(=C)C)c(=O)c2c1c1c(OC(C=C1)(C)C)cc2O
SMART[H]OC1=C([H])C(O[H])=C(O[H])C2=C1C1=C(C(=O)C3=C(O1)C1=C(O[C@](C([H])=C1[H])(C([H])([H])[H])C([H])([H])[H])C([H])=C3O[H])C([H])([H])[C@]2([H])C(=C(/[H])[H])C([H])([H])[H]
CAS No.121748-25-2
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C477220
HIT   -
NCI-60 GI50 data   -
Suppliers NA, 
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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