(1R,4R,5S,8R,9S,12R,14R)-4,8,12-trimethyl-2,13-dioxatetracyclo[7.5.0.01,5.012,14]tetradecan-3-one
| Internal ID | 389855ed-7a13-465e-9cab-85f52c12046a |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Sesquiterpene lactones > Cadinanolides |
| IUPAC Name | (1R,4R,5S,8R,9S,12R,14R)-4,8,12-trimethyl-2,13-dioxatetracyclo[7.5.0.01,5.012,14]tetradecan-3-one |
| SMILES (Canonical) | CC1CCC2C(C(=O)OC23C1CCC4(C3O4)C)C |
| SMILES (Isomeric) | C[C@@H]1CC[C@H]2[C@H](C(=O)O[C@]23[C@H]1CC[C@@]4([C@H]3O4)C)C |
| InChI | InChI=1S/C15H22O3/c1-8-4-5-11-9(2)12(16)17-15(11)10(8)6-7-14(3)13(15)18-14/h8-11,13H,4-7H2,1-3H3/t8-,9-,10+,11+,13-,14-,15-/m1/s1 |
| InChI Key | VWGPQZZLIAQJCE-NNWCWBAJSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C15H22O3 |
| Molecular Weight | 250.33 g/mol |
| Exact Mass | 250.15689456 g/mol |
| Topological Polar Surface Area (TPSA) | 38.80 Ų |
| XlogP | 2.70 |
| 87206-33-5 |
| HY-N9395 |
| AKOS040763679 |
| AC-34204 |
| CS-0159679 |
![2D Structure of (1R,4R,5S,8R,9S,12R,14R)-4,8,12-trimethyl-2,13-dioxatetracyclo[7.5.0.01,5.012,14]tetradecan-3-one](https://plantaedb.com/storage/docs/compounds/2023/11/1r4r5s8r9s12r14r-4812-trimethyl-213-dioxatetracyclo75001501214tetradecan-3-one.jpg "2D Structure of (1R,4R,5S,8R,9S,12R,14R)-4,8,12-trimethyl-2,13-dioxatetracyclo[7.5.0.01,5.012,14]tetradecan-3-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.27% | 96.09% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 90.86% | 96.38% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.51% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.06% | 91.11% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 86.84% | 94.80% |
| CHEMBL1871 | P10275 | Androgen Receptor | 86.17% | 96.43% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.62% | 100.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.87% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.67% | 94.45% |
| CHEMBL301 | P24941 | Cyclin-dependent kinase 2 | 84.35% | 91.23% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 84.27% | 92.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.26% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.52% | 85.14% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.14% | 97.14% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 82.61% | 96.77% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 82.45% | 96.61% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.36% | 89.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.11% | 93.04% |
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.
| Artemisia annua |
| PubChem | 21631204 |
| LOTUS | LTS0201404 |
| wikiData | Q105298076 |