1-Methyl-12-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-5-ol
| Internal ID | c56662ae-13a8-4898-b4bc-d11163e8823c |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 2-benzopyrans |
| IUPAC Name | 1-methyl-12-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-5-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C12H14O2/c1-12-5-4-10(14-12)7-8-6-9(13)2-3-11(8)12/h2-3,6,10,13H,4-5,7H2,1H3 |
| InChI Key | ZQFOIAZVGMJWKM-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C12H14O2 |
| Molecular Weight | 190.24 g/mol |
| Exact Mass | 190.099379685 g/mol |
| Topological Polar Surface Area (TPSA) | 29.50 Ų |
| XlogP | 2.00 |
| There are no found synonyms. |
![2D Structure of 1-Methyl-12-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-5-ol](https://plantaedb.com/storage/docs/compounds/2023/11/1-methyl-12-oxatricyclo721027dodeca-2735-trien-5-ol.jpg "2D Structure of 1-Methyl-12-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-5-ol")
| 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 | 98.92% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.31% | 96.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.60% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.52% | 94.45% |
| CHEMBL301 | P24941 | Cyclin-dependent kinase 2 | 88.56% | 91.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.14% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.00% | 100.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 86.90% | 91.49% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 86.27% | 95.62% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.58% | 92.94% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.32% | 98.95% |
| CHEMBL233 | P35372 | Mu opioid receptor | 85.07% | 97.93% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 84.65% | 98.35% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.28% | 95.89% |
| CHEMBL236 | P41143 | Delta opioid receptor | 82.89% | 99.35% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.71% | 95.56% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 82.25% | 85.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.51% | 86.33% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 80.09% | 85.00% |
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.
| Bruguiera gymnorhiza |
| PubChem | 74022401 |
| LOTUS | LTS0124905 |
| wikiData | Q105381430 |