[(1S,9R,12S)-4-bromo-1,5,12-trimethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-9-yl]methanol
| Internal ID | f288e107-9d31-4d76-bd57-4bcf003fe9bd |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans |
| IUPAC Name | [(1S,9R,12S)-4-bromo-1,5,12-trimethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-9-yl]methanol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H19BrO2/c1-9-6-13-11(7-12(9)16)14(3)4-5-15(8-17,18-13)10(14)2/h6-7,10,17H,4-5,8H2,1-3H3/t10-,14-,15-/m0/s1 |
| InChI Key | HEDUCRHYGUKWLO-LKTVYLICSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C15H19BrO2 |
| Molecular Weight | 311.21 g/mol |
| Exact Mass | 310.05684 g/mol |
| Topological Polar Surface Area (TPSA) | 29.50 Ų |
| XlogP | 3.80 |
| There are no found synonyms. |
![2D Structure of [(1S,9R,12S)-4-bromo-1,5,12-trimethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-9-yl]methanol](https://plantaedb.com/storage/docs/compounds/2023/11/1s9r12s-4-bromo-1512-trimethyl-8-oxatricyclo721027dodeca-2735-trien-9-ylmethanol.jpg "2D Structure of [(1S,9R,12S)-4-bromo-1,5,12-trimethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-9-yl]methanol")
| 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 | 97.45% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.81% | 96.09% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 89.45% | 86.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.27% | 95.56% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.65% | 92.94% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 86.28% | 89.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.92% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.54% | 100.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.21% | 90.00% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 83.69% | 90.24% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 83.56% | 94.80% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 81.71% | 89.05% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.62% | 86.33% |
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 | 163025242 |
| LOTUS | LTS0072175 |
| wikiData | Q105026767 |