(1R,2R,3R,6R,9S,12S,14S)-6,9,12-trimethyl-3-propan-2-yltetracyclo[7.5.0.02,6.012,14]tetradecan-11-one
| Internal ID | 01f7d2ac-ce56-4f42-bf5a-a6675d810416 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (1R,2R,3R,6R,9S,12S,14S)-6,9,12-trimethyl-3-propan-2-yltetracyclo[7.5.0.02,6.012,14]tetradecan-11-one |
| SMILES (Canonical) | CC(C)C1CCC2(C1C3C4CC4(C(=O)CC3(CC2)C)C)C |
| SMILES (Isomeric) | CC(C)[C@H]1CC[C@]2([C@H]1[C@H]3[C@@H]4C[C@@]4(C(=O)C[C@@]3(CC2)C)C)C |
| InChI | InChI=1S/C20H32O/c1-12(2)13-6-7-18(3)8-9-19(4)11-15(21)20(5)10-14(20)17(19)16(13)18/h12-14,16-17H,6-11H2,1-5H3/t13-,14+,16-,17-,18-,19+,20+/m1/s1 |
| InChI Key | DLVRUCLKVPYBAF-RRTWWDOWSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H32O |
| Molecular Weight | 288.50 g/mol |
| Exact Mass | 288.245315640 g/mol |
| Topological Polar Surface Area (TPSA) | 17.10 Ų |
| XlogP | 5.60 |
| There are no found synonyms. |
![2D Structure of (1R,2R,3R,6R,9S,12S,14S)-6,9,12-trimethyl-3-propan-2-yltetracyclo[7.5.0.02,6.012,14]tetradecan-11-one](https://plantaedb.com/storage/docs/compounds/2023/11/1cffa0a0-8743-11ee-89fc-270a097cd1dd.jpg "2D Structure of (1R,2R,3R,6R,9S,12S,14S)-6,9,12-trimethyl-3-propan-2-yltetracyclo[7.5.0.02,6.012,14]tetradecan-11-one")
| 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 |
|---|---|---|---|---|
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 97.55% | 94.75% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 92.10% | 96.38% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.27% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.60% | 94.45% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 90.60% | 82.69% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 86.25% | 93.03% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.98% | 100.00% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 85.72% | 95.71% |
| CHEMBL1871 | P10275 | Androgen Receptor | 85.44% | 96.43% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 85.34% | 85.30% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.34% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.12% | 99.23% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.91% | 96.09% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 84.86% | 91.24% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.57% | 95.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.97% | 90.17% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 81.83% | 95.38% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.41% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.20% | 98.95% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 80.43% | 97.50% |
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.
| Fossombronia alaskana |
| PubChem | 102066440 |
| LOTUS | LTS0259042 |
| wikiData | Q104984743 |