(1R,4R,9R,10S,13R)-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-15-one
| Internal ID | 863f67fd-11f5-4d06-947b-89258672127c |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
| IUPAC Name | (1R,4R,9R,10S,13R)-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-15-one |
| SMILES (Canonical) | CC1(CCCC2(C1CCC34C2CCC(C3)C(=C)C4=O)C)C |
| SMILES (Isomeric) | C[C@@]12CCCC([C@H]1CC[C@]34[C@H]2CC[C@H](C3)C(=C)C4=O)(C)C |
| InChI | InChI=1S/C20H30O/c1-13-14-6-7-16-19(4)10-5-9-18(2,3)15(19)8-11-20(16,12-14)17(13)21/h14-16H,1,5-12H2,2-4H3/t14-,15-,16+,19-,20-/m1/s1 |
| InChI Key | QDDOPNSTHQXUQO-AOHSKODXSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C20H30O |
| Molecular Weight | 286.50 g/mol |
| Exact Mass | 286.229665576 g/mol |
| Topological Polar Surface Area (TPSA) | 17.10 Ų |
| XlogP | 5.90 |
| There are no found synonyms. |
![2D Structure of (1R,4R,9R,10S,13R)-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-15-one](https://plantaedb.com/storage/docs/compounds/2023/11/1r4r9r10s13r-559-trimethyl-14-methylidenetetracyclo11210110049hexadecan-15-one.jpg "2D Structure of (1R,4R,9R,10S,13R)-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.93% | 97.25% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 94.87% | 96.38% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.75% | 94.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.73% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.59% | 97.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.36% | 82.69% |
| CHEMBL4370 | P16662 | UDP-glucuronosyltransferase 2B7 | 88.22% | 100.00% |
| CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 86.88% | 99.29% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.38% | 95.56% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 86.24% | 93.04% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 85.04% | 97.05% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 84.83% | 99.18% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.74% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.72% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.96% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.86% | 91.11% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 81.39% | 95.38% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.17% | 92.50% |
| CHEMBL1871 | P10275 | Androgen Receptor | 81.14% | 96.43% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.05% | 96.09% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.94% | 97.14% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.04% | 95.50% |
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.
| Amentotaxus formosana |
| Jungermannia exsertifolia |
| Liochlaena subulata |
| Nardia scalaris |
| PubChem | 10334208 |
| LOTUS | LTS0131768 |
| wikiData | Q105218761 |