(3R)-3,7-dimethyl-2-oxa-6-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-11-ol
| Internal ID | 5211faf0-9f01-48b7-b9a2-3c270c54ddd3 |
| Taxonomy | Organoheterocyclic compounds > Isoquinolines and derivatives |
| IUPAC Name | (3R)-3,7-dimethyl-2-oxa-6-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-11-ol |
| SMILES (Canonical) | CC1CC2=NC(=CC3=CC(=CC(=C23)O1)O)C |
| SMILES (Isomeric) | C[C@@H]1CC2=NC(=CC3=CC(=CC(=C23)O1)O)C |
| InChI | InChI=1S/C13H13NO2/c1-7-3-9-5-10(15)6-12-13(9)11(14-7)4-8(2)16-12/h3,5-6,8,15H,4H2,1-2H3/t8-/m1/s1 |
| InChI Key | RDTYCRMZIHUCEV-MRVPVSSYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C13H13NO2 |
| Molecular Weight | 215.25 g/mol |
| Exact Mass | 215.094628657 g/mol |
| Topological Polar Surface Area (TPSA) | 42.40 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of (3R)-3,7-dimethyl-2-oxa-6-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-11-ol](https://plantaedb.com/storage/docs/compounds/2023/11/3r-37-dimethyl-2-oxa-6-azatricyclo7310513trideca-11357911-pentaen-11-ol.jpg "2D Structure of (3R)-3,7-dimethyl-2-oxa-6-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-11-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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.20% | 91.49% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 90.38% | 86.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.25% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.21% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.61% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.93% | 99.23% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 81.40% | 93.65% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 81.40% | 94.80% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.77% | 95.56% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 80.28% | 95.78% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.24% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.24% | 96.09% |
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.
| Senna siamea |
| PubChem | 162997966 |
| LOTUS | LTS0023271 |
| wikiData | Q105234449 |