(1S,9R,12S)-9-(dibromomethyl)-1,5,12-trimethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
| Internal ID | 852bfddf-1c4a-4042-b4b5-9efc817e08ca |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans |
| IUPAC Name | (1S,9R,12S)-9-(dibromomethyl)-1,5,12-trimethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H18Br2O/c1-9-4-5-11-12(8-9)18-15(13(16)17)7-6-14(11,3)10(15)2/h4-5,8,10,13H,6-7H2,1-3H3/t10-,14-,15+/m0/s1 |
| InChI Key | GTPKNDAYUXHRNR-NZVBXONLSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H18Br2O |
| Molecular Weight | 374.11 g/mol |
| Exact Mass | 373.97039 g/mol |
| Topological Polar Surface Area (TPSA) | 9.20 Ų |
| XlogP | 5.50 |
| There are no found synonyms. |
![2D Structure of (1S,9R,12S)-9-(dibromomethyl)-1,5,12-trimethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene](https://plantaedb.com/storage/docs/compounds/2023/11/1s9r12s-9-dibromomethyl-1512-trimethyl-8-oxatricyclo721027dodeca-2735-triene.jpg "2D Structure of (1S,9R,12S)-9-(dibromomethyl)-1,5,12-trimethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene")
| 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 |
|---|---|---|---|---|
| CHEMBL240 | Q12809 | HERG | 98.69% | 89.76% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.75% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.42% | 96.09% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 91.95% | 94.80% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.52% | 95.56% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 89.43% | 86.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.08% | 97.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 87.52% | 93.99% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 87.44% | 85.30% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.46% | 98.95% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 85.12% | 100.00% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 84.49% | 100.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.22% | 100.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 84.13% | 93.40% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.09% | 89.62% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 83.34% | 93.18% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.56% | 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.
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| There are no matching plants. |
| PubChem | 162956700 |
| LOTUS | LTS0023986 |
| wikiData | Q105019240 |