1-[2-(furan-3-yl)ethyl]-1,2,6-trimethyl-3,4,5,8,9,9a-hexahydro-2H-benzo[7]annulen-4a-ol
| Internal ID | 170943fe-0942-46be-b713-3dda0284531e |
| Taxonomy | Organoheterocyclic compounds > Heteroaromatic compounds |
| IUPAC Name | 1-[2-(furan-3-yl)ethyl]-1,2,6-trimethyl-3,4,5,8,9,9a-hexahydro-2H-benzo[7]annulen-4a-ol |
| SMILES (Canonical) | CC1CCC2(CC(=CCCC2C1(C)CCC3=COC=C3)C)O |
| SMILES (Isomeric) | CC1CCC2(CC(=CCCC2C1(C)CCC3=COC=C3)C)O |
| InChI | InChI=1S/C20H30O2/c1-15-5-4-6-18-19(3,10-8-17-9-12-22-14-17)16(2)7-11-20(18,21)13-15/h5,9,12,14,16,18,21H,4,6-8,10-11,13H2,1-3H3 |
| InChI Key | BZJQWRNYDKRDPD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H30O2 |
| Molecular Weight | 302.50 g/mol |
| Exact Mass | 302.224580195 g/mol |
| Topological Polar Surface Area (TPSA) | 33.40 Ų |
| XlogP | 4.60 |
| There are no found synonyms. |
![2D Structure of 1-[2-(furan-3-yl)ethyl]-1,2,6-trimethyl-3,4,5,8,9,9a-hexahydro-2H-benzo[7]annulen-4a-ol](https://plantaedb.com/storage/docs/compounds/2023/11/1-2-furan-3-ylethyl-126-trimethyl-345899a-hexahydro-2h-benzo7annulen-4a-ol.jpg "2D Structure of 1-[2-(furan-3-yl)ethyl]-1,2,6-trimethyl-3,4,5,8,9,9a-hexahydro-2H-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 | 98.53% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.19% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.83% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.44% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.19% | 98.95% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 85.10% | 94.80% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.75% | 93.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.55% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.90% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.79% | 86.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.37% | 100.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 80.83% | 97.79% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.62% | 90.17% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 80.31% | 96.25% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.13% | 89.00% |
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.
| Croton cortesianus |
| PubChem | 162923881 |
| LOTUS | LTS0132079 |
| wikiData | Q104950497 |