(1R,3R,5R,8S,10S,13S)-1,5,10-trimethyl-14-propan-2-ylidene-4,9-dioxatetracyclo[11.3.0.03,5.08,10]hexadecan-15-one
| Internal ID | e916f96e-2f10-46f5-b8e2-93c576f4e142 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Cyclic ketones |
| IUPAC Name | (1R,3R,5R,8S,10S,13S)-1,5,10-trimethyl-14-propan-2-ylidene-4,9-dioxatetracyclo[11.3.0.03,5.08,10]hexadecan-15-one |
| SMILES (Canonical) | CC(=C1C2CCC3(C(O3)CCC4(C(O4)CC2(CC1=O)C)C)C)C |
| SMILES (Isomeric) | CC(=C1[C@H]2CC[C@]3([C@@H](O3)CC[C@@]4([C@H](O4)C[C@@]2(CC1=O)C)C)C)C |
| InChI | InChI=1S/C20H30O3/c1-12(2)17-13-6-8-19(4)15(22-19)7-9-20(5)16(23-20)11-18(13,3)10-14(17)21/h13,15-16H,6-11H2,1-5H3/t13-,15+,16-,18+,19+,20-/m1/s1 |
| InChI Key | YUVBUOIJKQKXOJ-KNLVXHHQSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H30O3 |
| Molecular Weight | 318.40 g/mol |
| Exact Mass | 318.21949481 g/mol |
| Topological Polar Surface Area (TPSA) | 42.10 Ų |
| XlogP | 3.40 |
| There are no found synonyms. |
![2D Structure of (1R,3R,5R,8S,10S,13S)-1,5,10-trimethyl-14-propan-2-ylidene-4,9-dioxatetracyclo[11.3.0.03,5.08,10]hexadecan-15-one](https://plantaedb.com/storage/docs/compounds/2023/11/cbed9740-85c1-11ee-8104-f70ea8c00fa1.jpg "2D Structure of (1R,3R,5R,8S,10S,13S)-1,5,10-trimethyl-14-propan-2-ylidene-4,9-dioxatetracyclo[11.3.0.03,5.08,10]hexadecan-15-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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.92% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.18% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.94% | 91.11% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 88.75% | 93.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 88.57% | 96.77% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.38% | 99.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.24% | 94.45% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.29% | 82.69% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.23% | 98.95% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 85.58% | 95.38% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 85.26% | 94.78% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.21% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.21% | 95.56% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 83.60% | 93.04% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.74% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.61% | 89.00% |
| CHEMBL3384 | Q16512 | Protein kinase N1 | 81.55% | 80.71% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.42% | 97.14% |
| CHEMBL5600 | P27448 | Serine/threonine-protein kinase c-TAK1 | 81.32% | 88.81% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 81.16% | 85.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.48% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.27% | 100.00% |
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 | 46887665 |
| LOTUS | LTS0122881 |
| wikiData | Q105364992 |