3-[4-[5-Methoxy-1-(2-phenylethenyl)cyclohexa-2,4-dien-1-yl]-2,6,6-trimethyl-3-bicyclo[3.1.1]hept-1-enyl]-2,6,6-trimethyl-3-(2,6,6-trimethyl-3-bicyclo[3.1.1]hept-1-enyl)bicyclo[3.1.1]hept-1-ene
| Internal ID | c722cb1f-28a4-49ea-926c-b76cf37c0165 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesterterpenoids |
| IUPAC Name | 3-[4-[5-methoxy-1-(2-phenylethenyl)cyclohexa-2,4-dien-1-yl]-2,6,6-trimethyl-3-bicyclo[3.1.1]hept-1-enyl]-2,6,6-trimethyl-3-(2,6,6-trimethyl-3-bicyclo[3.1.1]hept-1-enyl)bicyclo[3.1.1]hept-1-ene |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C45H58O/c1-27-34-21-31(41(34,4)5)22-36(27)45(25-32-23-37(29(45)3)42(32,6)7)39-28(2)35-24-38(43(35,8)9)40(39)44(19-14-17-33(26-44)46-10)20-18-30-15-12-11-13-16-30/h11-20,31-32,36,38-40H,21-26H2,1-10H3 |
| InChI Key | RXCZWYGSGGFSHC-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C45H58O |
| Molecular Weight | 614.90 g/mol |
| Exact Mass | 614.448766469 g/mol |
| Topological Polar Surface Area (TPSA) | 9.20 Ų |
| XlogP | 10.00 |
| There are no found synonyms. |
![2D Structure of 3-[4-[5-Methoxy-1-(2-phenylethenyl)cyclohexa-2,4-dien-1-yl]-2,6,6-trimethyl-3-bicyclo[3.1.1]hept-1-enyl]-2,6,6-trimethyl-3-(2,6,6-trimethyl-3-bicyclo[3.1.1]hept-1-enyl)bicyclo[3.1.1]hept-1-ene](https://plantaedb.com/storage/docs/compounds/2023/11/2f383aa0-85f1-11ee-a6e5-bf58a8bea6a3.jpg "2D Structure of 3-[4-[5-Methoxy-1-(2-phenylethenyl)cyclohexa-2,4-dien-1-yl]-2,6,6-trimethyl-3-bicyclo[3.1.1]hept-1-enyl]-2,6,6-trimethyl-3-(2,6,6-trimethyl-3-bicyclo[3.1.1]hept-1-enyl)bicyclo[3.1.1]hept-1-ene")
| 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 | 96.17% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.12% | 86.33% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 95.80% | 92.97% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.40% | 95.56% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 95.19% | 94.62% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.11% | 96.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.30% | 91.49% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 94.07% | 94.08% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 93.40% | 96.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 92.27% | 93.99% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.47% | 90.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.43% | 97.09% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 87.91% | 96.25% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 86.37% | 85.49% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.57% | 94.75% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 85.37% | 92.51% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 85.33% | 89.44% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.37% | 95.50% |
| CHEMBL5028 | O14672 | ADAM10 | 82.31% | 97.50% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 82.22% | 97.53% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.10% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.79% | 98.95% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.46% | 93.00% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 80.39% | 97.33% |
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.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 163192278 |
| LOTUS | LTS0026762 |
| wikiData | Q105246933 |