6,9,12-Trimethyl-5-propan-2-yltetracyclo[7.5.0.01,13.02,6]tetradecan-12-ol
| Internal ID | 938d45b1-9748-404b-90ee-1af57ff9bfec |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Valparane and mulinane diterpenoids |
| IUPAC Name | 6,9,12-trimethyl-5-propan-2-yltetracyclo[7.5.0.01,13.02,6]tetradecan-12-ol |
| SMILES (Canonical) | CC(C)C1CCC2C1(CCC3(C24CC4C(CC3)(C)O)C)C |
| SMILES (Isomeric) | CC(C)C1CCC2C1(CCC3(C24CC4C(CC3)(C)O)C)C |
| InChI | InChI=1S/C20H34O/c1-13(2)14-6-7-15-18(14,4)10-8-17(3)9-11-19(5,21)16-12-20(15,16)17/h13-16,21H,6-12H2,1-5H3 |
| InChI Key | LIXXTIXZQFXCDM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H34O |
| Molecular Weight | 290.50 g/mol |
| Exact Mass | 290.260965704 g/mol |
| Topological Polar Surface Area (TPSA) | 20.20 Ų |
| XlogP | 5.60 |
| There are no found synonyms. |
![2D Structure of 6,9,12-Trimethyl-5-propan-2-yltetracyclo[7.5.0.01,13.02,6]tetradecan-12-ol](https://plantaedb.com/storage/docs/compounds/2023/11/6912-trimethyl-5-propan-2-yltetracyclo7500113026tetradecan-12-ol.jpg "2D Structure of 6,9,12-Trimethyl-5-propan-2-yltetracyclo[7.5.0.01,13.02,6]tetradecan-12-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 |
|---|---|---|---|---|
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 98.63% | 96.38% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.59% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.99% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.13% | 90.17% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 89.23% | 82.69% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 88.55% | 96.61% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.37% | 95.89% |
| CHEMBL268 | P43235 | Cathepsin K | 86.54% | 96.85% |
| CHEMBL240 | Q12809 | HERG | 85.56% | 89.76% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.56% | 100.00% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 85.07% | 92.88% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.74% | 94.75% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.47% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.53% | 97.09% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 82.83% | 95.69% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 82.61% | 91.03% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 82.54% | 95.38% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.10% | 94.45% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.24% | 97.14% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 81.19% | 95.93% |
| CHEMBL2815 | P04629 | Nerve growth factor receptor Trk-A | 81.19% | 87.16% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 80.99% | 99.18% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 80.75% | 92.86% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 80.68% | 97.79% |
| CHEMBL2095194 | P08709 | Coagulation factor VII/tissue factor | 80.52% | 99.17% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.30% | 96.47% |
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.
| Azorella madreporica |
| PubChem | 73760975 |
| LOTUS | LTS0066362 |
| wikiData | Q105152418 |