(1S,9S,12R,14S)-5,9,13,13-tetramethyl-8-oxatetracyclo[7.4.1.02,7.012,14]tetradeca-2,4,6-trien-3-ol
| Internal ID | 769229c2-725b-41ad-9b0f-75105dbe7437 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans |
| IUPAC Name | (1S,9S,12R,14S)-5,9,13,13-tetramethyl-8-oxatetracyclo[7.4.1.02,7.012,14]tetradeca-2,4,6-trien-3-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C17H22O2/c1-9-7-11(18)13-12(8-9)19-17(4)6-5-10-14(17)15(13)16(10,2)3/h7-8,10,14-15,18H,5-6H2,1-4H3/t10-,14+,15+,17+/m1/s1 |
| InChI Key | ITXIHEUMAQMSJE-SWRJLBSHSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C17H22O2 |
| Molecular Weight | 258.35 g/mol |
| Exact Mass | 258.161979940 g/mol |
| Topological Polar Surface Area (TPSA) | 29.50 Ų |
| XlogP | 3.90 |
| There are no found synonyms. |
![2D Structure of (1S,9S,12R,14S)-5,9,13,13-tetramethyl-8-oxatetracyclo[7.4.1.02,7.012,14]tetradeca-2,4,6-trien-3-ol](https://plantaedb.com/storage/docs/compounds/2023/11/1s9s12r14s-591313-tetramethyl-8-oxatetracyclo74102701214tetradeca-246-trien-3-ol.jpg "2D Structure of (1S,9S,12R,14S)-5,9,13,13-tetramethyl-8-oxatetracyclo[7.4.1.02,7.012,14]tetradeca-2,4,6-trien-3-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 | 97.05% | 91.11% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 93.62% | 92.94% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.73% | 96.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 88.95% | 93.40% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.39% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.60% | 89.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 87.17% | 93.99% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.99% | 95.56% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 85.71% | 96.38% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.56% | 90.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.21% | 97.09% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 84.41% | 94.80% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.88% | 94.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.28% | 86.33% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 81.71% | 91.79% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.16% | 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.
To see more specific details click the taxa you are interested in.
| Rhododendron anthopogon |
| PubChem | 21668227 |
| LOTUS | LTS0076012 |
| wikiData | Q105120351 |