Scytalol C
| Internal ID | 6846f457-1425-4e3c-aaf8-369b8fd49a41 |
| Taxonomy | Organoheterocyclic compounds > Naphthofurans |
| IUPAC Name | (2R,3aR,4E,9bR)-6-hydroxy-2,8-dimethoxy-4-(methoxymethylidene)-2-methyl-3a,9b-dihydro-3H-benzo[g][1]benzofuran-5-one |
| SMILES (Canonical) | CC1(CC2C(O1)C3=C(C(=CC(=C3)OC)O)C(=O)C2=COC)OC |
| SMILES (Isomeric) | C[C@@]1(C[C@H]\2[C@@H](O1)C3=C(C(=CC(=C3)OC)O)C(=O)/C2=C/OC)OC |
| InChI | InChI=1S/C17H20O6/c1-17(22-4)7-11-12(8-20-2)15(19)14-10(16(11)23-17)5-9(21-3)6-13(14)18/h5-6,8,11,16,18H,7H2,1-4H3/b12-8+/t11-,16+,17-/m1/s1 |
| InChI Key | YNQDIUITYOXMCO-GQTFHTRASA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C17H20O6 |
| Molecular Weight | 320.30 g/mol |
| Exact Mass | 320.12598835 g/mol |
| Topological Polar Surface Area (TPSA) | 74.20 Ų |
| XlogP | 1.90 |
| 208183-22-6 |
| (2R,3aR,4E,9bR)-6-hydroxy-2,8-dimethoxy-4-(methoxymethylidene)-2-methyl-3a,9b-dihydro-3H-benzo(g)(1)benzofuran-5-one |
| (2R,3aR,4E,9bR)-6-hydroxy-2,8-dimethoxy-4-(methoxymethylidene)-2-methyl-3a,9b-dihydro-3H-benzo[g][1]benzofuran-5-one |
| RefChem:182056 |
| orb3024592 |
| CHEMBL3915481 |
| CHEBI:208934 |
| (2R,3aR,4E,9bR)-6-hydroxy-2,8-dimethoxy-4-(methoxymethylidene)-2-methyl-3a,9b-dihydro-3H-benzo[g][1]benzouran-5-one |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.51% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.93% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.53% | 85.14% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 92.61% | 95.93% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.73% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.67% | 96.09% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 90.62% | 91.07% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.34% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.99% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.88% | 99.23% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.54% | 99.15% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.41% | 86.33% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 88.05% | 97.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.96% | 90.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.22% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.18% | 94.45% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.81% | 92.94% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.17% | 94.73% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.07% | 91.19% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.11% | 94.75% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.78% | 93.40% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.02% | 94.00% |
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.
| There are no matching plants. |
| PubChem | 10829496 |
| LOTUS | LTS0182606 |
| wikiData | Q77490282 |