(1S,2R,5S,7R,9S,12R)-5-ethenyl-7-hydroxy-1,5,12-trimethyl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadecan-11-one
| Internal ID | ac378903-3e16-48df-b567-5a6e85d38ee8 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Diterpene lactones |
| IUPAC Name | (1S,2R,5S,7R,9S,12R)-5-ethenyl-7-hydroxy-1,5,12-trimethyl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadecan-11-one |
| SMILES (Canonical) | CC1(CCC2C3(CCCC4(C3C(CC2(C1)O)OC4=O)C)C)C=C |
| SMILES (Isomeric) | C[C@@]1(CC[C@@H]2[C@]3(CCC[C@@]4(C3[C@H](C[C@@]2(C1)O)OC4=O)C)C)C=C |
| InChI | InChI=1S/C20H30O3/c1-5-17(2)10-7-14-18(3)8-6-9-19(4)15(18)13(23-16(19)21)11-20(14,22)12-17/h5,13-15,22H,1,6-12H2,2-4H3/t13-,14+,15?,17-,18+,19+,20-/m0/s1 |
| InChI Key | ROWAYMVYPPFJTI-CTIHTUHDSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H30O3 |
| Molecular Weight | 318.40 g/mol |
| Exact Mass | 318.21949481 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 4.50 |
| There are no found synonyms. |
![2D Structure of (1S,2R,5S,7R,9S,12R)-5-ethenyl-7-hydroxy-1,5,12-trimethyl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadecan-11-one](https://plantaedb.com/storage/docs/compounds/2023/11/1b1b9300-85ee-11ee-a12b-a5b8bc9584bc.jpg "2D Structure of (1S,2R,5S,7R,9S,12R)-5-ethenyl-7-hydroxy-1,5,12-trimethyl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadecan-11-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.32% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.86% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.82% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.23% | 94.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.45% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.14% | 97.09% |
| CHEMBL4072 | P07858 | Cathepsin B | 83.74% | 93.67% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.19% | 95.89% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.84% | 93.03% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.71% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.44% | 89.00% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 81.40% | 97.05% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.94% | 95.50% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 80.50% | 96.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.25% | 92.94% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.10% | 94.75% |
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.
| Tetraclinis articulata |
| PubChem | 11130956 |
| LOTUS | LTS0268968 |
| wikiData | Q105242503 |