(1R,4R,6R,9Z,12S)-4,9,12-trimethyl-15-propan-2-yl-5-oxatricyclo[10.3.0.04,6]pentadeca-9,14-dien-13-one
| Internal ID | c1511710-d3a1-4f25-9e67-16a3e344cf6e |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Dolabellane and neodolabellane diterpenoids |
| IUPAC Name | (1R,4R,6R,9Z,12S)-4,9,12-trimethyl-15-propan-2-yl-5-oxatricyclo[10.3.0.04,6]pentadeca-9,14-dien-13-one |
| SMILES (Canonical) | CC1=CCC2(C(CCC3(C(O3)CC1)C)C(=CC2=O)C(C)C)C |
| SMILES (Isomeric) | C/C/1=C/C[C@]2([C@H](CC[C@@]3([C@H](O3)CC1)C)C(=CC2=O)C(C)C)C |
| InChI | InChI=1S/C20H30O2/c1-13(2)15-12-17(21)19(4)10-8-14(3)6-7-18-20(5,22-18)11-9-16(15)19/h8,12-13,16,18H,6-7,9-11H2,1-5H3/b14-8-/t16-,18-,19+,20-/m1/s1 |
| InChI Key | UOOSOJLICIHJEA-SRPFAFIASA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H30O2 |
| Molecular Weight | 302.50 g/mol |
| Exact Mass | 302.224580195 g/mol |
| Topological Polar Surface Area (TPSA) | 29.60 Ų |
| XlogP | 3.50 |
| There are no found synonyms. |
![2D Structure of (1R,4R,6R,9Z,12S)-4,9,12-trimethyl-15-propan-2-yl-5-oxatricyclo[10.3.0.04,6]pentadeca-9,14-dien-13-one](https://plantaedb.com/storage/docs/compounds/2023/11/a3146900-85f2-11ee-9547-934913eef353.jpg "2D Structure of (1R,4R,6R,9Z,12S)-4,9,12-trimethyl-15-propan-2-yl-5-oxatricyclo[10.3.0.04,6]pentadeca-9,14-dien-13-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 94.60% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.46% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.97% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.26% | 95.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 90.10% | 93.40% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.10% | 96.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.56% | 93.99% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.94% | 95.89% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 86.54% | 89.63% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.09% | 94.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.64% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.21% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.17% | 86.33% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 83.77% | 96.77% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.48% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.71% | 99.23% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.63% | 90.17% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 82.49% | 95.34% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.49% | 100.00% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 81.36% | 94.78% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 80.53% | 85.11% |
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 | 46833411 |
| LOTUS | LTS0048353 |
| wikiData | Q105276499 |