Compound | mulberrofuran D |
NPACT-Id | NPACT01269 |
IUPAC | - |
Synonyms | 5-(7-(3,7-Dimethyl-2,6-octadienyl)-6-hydroxy-1-benzofuran-2-yl)-4-(3-methyl-2-butenyl)-1,3-benzenediol;5-[7-(3,7-dimethylocta-2,6-dien-1-yl)-6-hydroxy-1-benzofuran-2-yl]-4-(3-methylbut-2-en-1-yl)benzene-1,3-diol;5-[7-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-hydroxy-1-benzofuran-2-yl]-4-(3-methylbut-2-enyl)benzene-1,3-diol |
PubChem Id | 5467256 |
Class | Benzofuranoids |
In-vitro anticancer activity | 2 cancer cell lines |
In-Vivo anticancer activity | No |
Targets | No targets found |
Properties | Physical Elemental Topological |
InChi Key | WCJPAQJEARHLGS-KEBDBYFISA-N |
InChi | 1S/C29H34O4/c1-18(2)7-6-8-20(5)10-13-24-26(31)14-11-21-15-28(33-29(21)24)25-16-22(30)17-27(32)23(25)12-9-19(3)4/h7,9-11,14-17,30-32H,6,8,12-13H2,1-5H3/b20-10+ |
SMILES | o1c2c(C/C=C(/CCC=C(C)C)C)c(O)ccc2cc1c1c(CC=C(C)C)c(O)cc(O)c1 |
SMART | [H]OC1=C([H])C(C2=C([H])C3=C(O2)C(=C(O[H])C([H])=C3[H])C([H])([H])C([H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(/C([H])([H])[H])C([H])([H])[H])=C(C(O[H])=C1[H])C([H])([H])C([H])=C(/C([H])([H])[H])C([H])([H])[H] |
CAS No. | - |
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Structure Download |
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Cross Refrence in other databases |
Super Natural | - |
CTD | - |
HIT | - |
NCI-60 GI50 data | - |
Suppliers | ABI Chem, Therapeutic Targets Database, |
Drug-Likeliness Filters | Lipinski's rule of five | No |
Ghose filter | No |
Veber filter | Yes |
Muegge Filter | No |
Similarity Search | Human metabolite database | FDA approved drugs |