Compound | Artobiloxanthone |
NPACT-Id | NPACT00280 |
IUPAC | 6-(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 Id | 46887866 |
Class | Flavonoid |
In-vitro anticancer activity | 1 cancer cell lines |
In-Vivo anticancer activity | No |
Targets | NFKB1 | All | |
Properties | Physical Elemental Topological |
InChi Key | ZIYAGIMFLYOZDS-GFCCVEGCSA-N |
InChi | 1S/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 |
SMILES | o1c2c(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 |
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Structure Download |
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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 Search | Human metabolite database | FDA approved drugs |