1-Methyl-12-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-3,5-diol
| Internal ID | 0e64d857-7ae2-4ad8-85f0-df796d5b072b |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 2-benzopyrans |
| IUPAC Name | 1-methyl-12-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-3,5-diol |
| SMILES (Canonical) | CC12CCC(O1)CC3=C2C(=CC(=C3)O)O |
| SMILES (Isomeric) | CC12CCC(O1)CC3=C2C(=CC(=C3)O)O |
| InChI | InChI=1S/C12H14O3/c1-12-3-2-9(15-12)5-7-4-8(13)6-10(14)11(7)12/h4,6,9,13-14H,2-3,5H2,1H3 |
| InChI Key | NPBAXCRDRPTPBM-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C12H14O3 |
| Molecular Weight | 206.24 g/mol |
| Exact Mass | 206.094294304 g/mol |
| Topological Polar Surface Area (TPSA) | 49.70 Ų |
| XlogP | 1.70 |
| There are no found synonyms. |
![2D Structure of 1-Methyl-12-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-3,5-diol](https://plantaedb.com/storage/docs/compounds/2023/11/1-methyl-12-oxatricyclo721027dodeca-2735-triene-35-diol.jpg "2D Structure of 1-Methyl-12-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-3,5-diol")
| 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 | 98.67% | 91.11% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 92.11% | 92.94% |
| CHEMBL233 | P35372 | Mu opioid receptor | 91.24% | 97.93% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.86% | 96.09% |
| CHEMBL301 | P24941 | Cyclin-dependent kinase 2 | 90.22% | 91.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.85% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.53% | 97.09% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 88.04% | 95.62% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.60% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.12% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.24% | 95.56% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 83.41% | 99.18% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.22% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.68% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.59% | 86.33% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 81.05% | 94.03% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.37% | 97.14% |
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 | 73408038 |
| LOTUS | LTS0227077 |
| wikiData | Q105182946 |