1H,10H-Furo[3',4':4a,5]naphtho[2,1-c]pyran-1,8(4bH)-dione, 3-(3-furanyl)-3,4,4a,11,12,12a-hexahydro-4a-methyl-, (3R,4aR,4bS,10aS,12aS)-
| Internal ID | 28500185-2278-4a7e-a9ed-b30d2dfe8fba |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans |
| IUPAC Name | (1S,4S,7R,9R,10S)-7-(furan-3-yl)-9-methyl-6,16-dioxatetracyclo[8.7.0.01,14.04,9]heptadeca-11,13-diene-5,15-dione |
| SMILES (Canonical) | CC12CC(OC(=O)C1CCC34C2C=CC=C3C(=O)OC4)C5=COC=C5 |
| SMILES (Isomeric) | C[C@]12C[C@@H](OC(=O)[C@H]1CC[C@]34[C@H]2C=CC=C3C(=O)OC4)C5=COC=C5 |
| InChI | InChI=1S/C20H20O5/c1-19-9-15(12-6-8-23-10-12)25-18(22)13(19)5-7-20-11-24-17(21)14(20)3-2-4-16(19)20/h2-4,6,8,10,13,15-16H,5,7,9,11H2,1H3/t13-,15-,16+,19+,20-/m1/s1 |
| InChI Key | CREOMRQYELECKQ-BYYUCUBISA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H20O5 |
| Molecular Weight | 340.40 g/mol |
| Exact Mass | 340.13107373 g/mol |
| Topological Polar Surface Area (TPSA) | 65.70 Ų |
| XlogP | 2.80 |
| AKOS040747101 |
| 1H,10H-Furo[3',4':4a,5]naphtho[2,1-c]pyran-1,8(4bH)-dione, 3-(3-furanyl)-3,4,4a,11,12,12a-hexahydro-4a-methyl-, (3R,4aR,4bS,10aS,12aS)- |
![2D Structure of 1H,10H-Furo[3',4':4a,5]naphtho[2,1-c]pyran-1,8(4bH)-dione, 3-(3-furanyl)-3,4,4a,11,12,12a-hexahydro-4a-methyl-, (3R,4aR,4bS,10aS,12aS)-](https://plantaedb.com/storage/docs/compounds/2023/11/a98f09c0-8634-11ee-9148-1945df2707f8.jpg "2D Structure of 1H,10H-Furo[3',4':4a,5]naphtho[2,1-c]pyran-1,8(4bH)-dione, 3-(3-furanyl)-3,4,4a,11,12,12a-hexahydro-4a-methyl-, (3R,4aR,4bS,10aS,12aS)-")
| 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 | 95.67% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.13% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.54% | 95.56% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 91.24% | 82.69% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.21% | 97.25% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.02% | 99.23% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.87% | 100.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.05% | 85.14% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 85.36% | 94.80% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.12% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.48% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.94% | 94.45% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.61% | 92.62% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.21% | 94.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 82.05% | 93.40% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.10% | 94.75% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.78% | 93.04% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.31% | 95.89% |
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.
| Salvia polystachya |
| PubChem | 145952768 |
| LOTUS | LTS0085256 |
| wikiData | Q104968501 |