Mulberrofuran H
| Internal ID | 20f2f396-298f-4606-8f8a-99aa89848a1b |
| Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
| IUPAC Name | 5-(6-hydroxy-1-benzofuran-2-yl)-2-[(1S,9S)-5-hydroxy-9-methyl-8-oxatricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraen-11-yl]benzene-1,3-diol |
| SMILES (Canonical) | CC12CC(CC(=C1)C3=C(C=C(C=C3O)C4=CC5=C(O4)C=C(C=C5)O)O)C6=C(O2)C=C(C=C6)O |
| SMILES (Isomeric) | C[C@]12C[C@H](CC(=C1)C3=C(C=C(C=C3O)C4=CC5=C(O4)C=C(C=C5)O)O)C6=C(O2)C=C(C=C6)O |
| InChI | InChI=1S/C27H22O6/c1-27-12-16(20-5-4-19(29)11-25(20)33-27)6-17(13-27)26-21(30)7-15(8-22(26)31)23-9-14-2-3-18(28)10-24(14)32-23/h2-5,7-11,13,16,28-31H,6,12H2,1H3/t16-,27-/m0/s1 |
| InChI Key | ZVTKGVROAGDVCH-OQRWROFFSA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C27H22O6 |
| Molecular Weight | 442.50 g/mol |
| Exact Mass | 442.14163842 g/mol |
| Topological Polar Surface Area (TPSA) | 103.00 Ų |
| XlogP | 4.80 |
| 89199-99-5 |
| 5-(6-hydroxy-1-benzofuran-2-yl)-2-[(1S,9S)-5-hydroxy-9-methyl-8-oxatricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraen-11-yl]benzene-1,3-diol |
| 5-(6-hydroxy-1-benzofuran-2-yl)-2-((1S,9S)-5-hydroxy-9-methyl-8-oxatricyclo(7.3.1.02,7)trideca-2(7),3,5,10-tetraen-11-yl)benzene-1,3-diol |
| RefChem:160003 |
| (+)-Mulberrofuran H |
| CHEMBL563553 |
| SCHEMBL12812839 |
| BDBM50480478 |
| AKOS032948970 |
| FS-7734 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha |
140 nM |
IC50 |
via Super-PRED
|
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.35% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.48% | 98.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 93.34% | 99.15% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 92.28% | 85.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.07% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.88% | 96.09% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 91.16% | 95.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.60% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.46% | 89.00% |
| CHEMBL236 | P41143 | Delta opioid receptor | 89.26% | 99.35% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 88.51% | 98.35% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.21% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.75% | 99.23% |
| CHEMBL5408 | Q9UHD2 | Serine/threonine-protein kinase TBK1 | 84.96% | 90.48% |
| CHEMBL344 | Q99705 | Melanin-concentrating hormone receptor 1 | 83.89% | 92.50% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 83.45% | 95.78% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 83.23% | 95.62% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 82.97% | 95.69% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.59% | 100.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.57% | 94.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.85% | 90.71% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 80.74% | 96.21% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.66% | 100.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Morus alba |
| Morus mongolica |
| PubChem | 20056162 |
| NPASS | NPC159508 |
| ChEMBL | CHEMBL563553 |
| LOTUS | LTS0132196 |
| wikiData | Q105384632 |