(1S,3R,6S,7S,10S,11S)-3,7,12-trimethyl-2,9-dioxatetracyclo[9.3.0.01,3.06,10]tetradec-12-en-8-one
| Internal ID | 101c6171-eabc-45e9-bf33-9c3ba6da8d21 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Sesquiterpene lactones > Guaianolides and derivatives |
| IUPAC Name | (1S,3R,6S,7S,10S,11S)-3,7,12-trimethyl-2,9-dioxatetracyclo[9.3.0.01,3.06,10]tetradec-12-en-8-one |
| SMILES (Canonical) | CC1C2CCC3(C4(O3)CC=C(C4C2OC1=O)C)C |
| SMILES (Isomeric) | C[C@H]1[C@@H]2CC[C@@]3([C@]4(O3)CC=C([C@H]4[C@H]2OC1=O)C)C |
| InChI | InChI=1S/C15H20O3/c1-8-4-7-15-11(8)12-10(9(2)13(16)17-12)5-6-14(15,3)18-15/h4,9-12H,5-7H2,1-3H3/t9-,10-,11-,12-,14+,15-/m0/s1 |
| InChI Key | CBRKCJOSZHRKFH-SFJACZDSSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H20O3 |
| Molecular Weight | 248.32 g/mol |
| Exact Mass | 248.14124450 g/mol |
| Topological Polar Surface Area (TPSA) | 38.80 Ų |
| XlogP | 1.80 |
| There are no found synonyms. |
![2D Structure of (1S,3R,6S,7S,10S,11S)-3,7,12-trimethyl-2,9-dioxatetracyclo[9.3.0.01,3.06,10]tetradec-12-en-8-one](https://plantaedb.com/storage/docs/compounds/2023/11/1s3r6s7s10s11s-3712-trimethyl-29-dioxatetracyclo9300130610tetradec-12-en-8-one.jpg "2D Structure of (1S,3R,6S,7S,10S,11S)-3,7,12-trimethyl-2,9-dioxatetracyclo[9.3.0.01,3.06,10]tetradec-12-en-8-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 | 94.65% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.42% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.37% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.18% | 97.09% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 90.30% | 96.38% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 88.84% | 86.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.49% | 99.23% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.83% | 96.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 85.90% | 93.40% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 84.93% | 94.80% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.41% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.39% | 89.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.60% | 94.75% |
| CHEMBL1871 | P10275 | Androgen Receptor | 81.47% | 96.43% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 81.45% | 91.76% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.45% | 93.04% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.04% | 94.00% |
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.
| Artemisia arborescens |
| PubChem | 11875860 |
| LOTUS | LTS0235074 |
| wikiData | Q104952713 |