(3R,4R,4aR)-4-methoxy-3,5,5,9-tetramethyl-2,3,4,6,7,8-hexahydro-1H-benzo[7]annulen-4a-ol
| Internal ID | cee1cfd8-c2b0-4e50-adc2-5b96066070f0 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Himachalane and lippifoliane sesquiterpenoids |
| IUPAC Name | (3R,4R,4aR)-4-methoxy-3,5,5,9-tetramethyl-2,3,4,6,7,8-hexahydro-1H-benzo[7]annulen-4a-ol |
| SMILES (Canonical) | CC1CCC2=C(CCCC(C2(C1OC)O)(C)C)C |
| SMILES (Isomeric) | C[C@@H]1CCC2=C(CCCC([C@@]2([C@@H]1OC)O)(C)C)C |
| InChI | InChI=1S/C16H28O2/c1-11-7-6-10-15(3,4)16(17)13(11)9-8-12(2)14(16)18-5/h12,14,17H,6-10H2,1-5H3/t12-,14-,16-/m1/s1 |
| InChI Key | HBXDKYNYHSDLSQ-XNRPHZJLSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H28O2 |
| Molecular Weight | 252.39 g/mol |
| Exact Mass | 252.208930132 g/mol |
| Topological Polar Surface Area (TPSA) | 29.50 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
![2D Structure of (3R,4R,4aR)-4-methoxy-3,5,5,9-tetramethyl-2,3,4,6,7,8-hexahydro-1H-benzo[7]annulen-4a-ol](https://plantaedb.com/storage/docs/compounds/2023/11/3r4r4ar-4-methoxy-3559-tetramethyl-234678-hexahydro-1h-benzo7annulen-4a-ol.jpg "2D Structure of (3R,4R,4aR)-4-methoxy-3,5,5,9-tetramethyl-2,3,4,6,7,8-hexahydro-1H-benzo[7]annulen-4a-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.49% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.72% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.75% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.43% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.40% | 95.89% |
| CHEMBL1871 | P10275 | Androgen Receptor | 84.12% | 96.43% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.85% | 92.94% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.01% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.48% | 98.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.76% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.44% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.42% | 94.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.60% | 94.75% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 80.26% | 86.00% |
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.
| Hugonia castaneifolia |
| Thalictrum foetidum |
| PubChem | 24776073 |
| LOTUS | LTS0235998 |
| wikiData | Q105036510 |