6-[(1R,2S,4aR,5R)-5-hydroxy-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-4-methoxy-2-oxopyran-3-carbaldehyde
| Internal ID | 6f86ef03-0f3d-45cb-954b-27337f15f751 |
| Taxonomy | Organoheterocyclic compounds > Pyrans > Pyranones and derivatives |
| IUPAC Name | 6-[(1R,2S,4aR,5R)-5-hydroxy-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-4-methoxy-2-oxopyran-3-carbaldehyde |
| SMILES (Canonical) | CC1C=CC2C(C1C3=CC(=C(C(=O)O3)C=O)OC)CCCC2O |
| SMILES (Isomeric) | C[C@H]1C=C[C@H]2[C@@H](CCCC2[C@@H]1C3=CC(=C(C(=O)O3)C=O)OC)O |
| InChI | InChI=1S/C18H22O5/c1-10-6-7-11-12(4-3-5-14(11)20)17(10)16-8-15(22-2)13(9-19)18(21)23-16/h6-12,14,17,20H,3-5H2,1-2H3/t10-,11+,12?,14+,17+/m0/s1 |
| InChI Key | SSSAXSWSFJNJIO-WODCJDDHSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H22O5 |
| Molecular Weight | 318.40 g/mol |
| Exact Mass | 318.14672380 g/mol |
| Topological Polar Surface Area (TPSA) | 72.80 Ų |
| XlogP | 2.20 |
| There are no found synonyms. |
![2D Structure of 6-[(1R,2S,4aR,5R)-5-hydroxy-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-4-methoxy-2-oxopyran-3-carbaldehyde](https://plantaedb.com/storage/docs/compounds/2023/11/71193000-8635-11ee-9911-3564ed1e0a74.jpg "2D Structure of 6-[(1R,2S,4aR,5R)-5-hydroxy-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-4-methoxy-2-oxopyran-3-carbaldehyde")
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.51% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.54% | 91.11% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 95.09% | 98.11% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 94.30% | 92.94% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 90.34% | 83.82% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.33% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.62% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.96% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.46% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.81% | 97.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.62% | 94.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.00% | 96.00% |
| CHEMBL1871 | P10275 | Androgen Receptor | 82.95% | 96.43% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.67% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.43% | 97.09% |
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 | 102507969 |
| LOTUS | LTS0206719 |
| wikiData | Q104400428 |