(1R,2R,3S,6R,9S,11R,12S,14S)-6,9,12-trimethyl-3-propan-2-yltetracyclo[7.5.0.02,6.011,14]tetradecan-12-ol
| Internal ID | e3889f0f-878b-4da7-b1a0-4b5839e49115 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | (1R,2R,3S,6R,9S,11R,12S,14S)-6,9,12-trimethyl-3-propan-2-yltetracyclo[7.5.0.02,6.011,14]tetradecan-12-ol |
| SMILES (Canonical) | CC(C)C1CCC2(C1C3C4CC(C4CC3(CC2)C)(C)O)C |
| SMILES (Isomeric) | CC(C)[C@@H]1CC[C@]2([C@H]1[C@H]3[C@@H]4C[C@]([C@@H]4C[C@@]3(CC2)C)(C)O)C |
| InChI | InChI=1S/C20H34O/c1-12(2)13-6-7-18(3)8-9-19(4)11-15-14(10-20(15,5)21)17(19)16(13)18/h12-17,21H,6-11H2,1-5H3/t13-,14+,15+,16+,17+,18+,19-,20-/m0/s1 |
| InChI Key | PEKDEEHSFCYBLA-HTZJVTINSA-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 | 5.70 |
| There are no found synonyms. |
![2D Structure of (1R,2R,3S,6R,9S,11R,12S,14S)-6,9,12-trimethyl-3-propan-2-yltetracyclo[7.5.0.02,6.011,14]tetradecan-12-ol](https://plantaedb.com/storage/docs/compounds/2023/11/41a53cf0-861c-11ee-b89c-5103951832f6.jpg "2D Structure of (1R,2R,3S,6R,9S,11R,12S,14S)-6,9,12-trimethyl-3-propan-2-yltetracyclo[7.5.0.02,6.011,14]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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.04% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.54% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.84% | 96.09% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 90.94% | 95.58% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.89% | 97.09% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 89.91% | 96.38% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.26% | 90.17% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 88.91% | 97.47% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.67% | 100.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.56% | 94.75% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 86.82% | 91.03% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.22% | 82.69% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 86.13% | 92.86% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 85.63% | 91.24% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 84.59% | 85.31% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.66% | 93.03% |
| CHEMBL1871 | P10275 | Androgen Receptor | 82.61% | 96.43% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 82.20% | 95.38% |
| CHEMBL2007625 | O75874 | Isocitrate dehydrogenase [NADP] cytoplasmic | 81.75% | 99.00% |
| CHEMBL2094128 | P24941 | Cyclin-dependent kinase 2/cyclin A | 81.67% | 97.25% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.62% | 95.89% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 81.34% | 98.99% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 81.14% | 97.50% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 80.80% | 94.78% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 80.11% | 95.71% |
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 | 10517643 |
| LOTUS | LTS0093090 |
| wikiData | Q105207157 |