(1R,2R,6Z,7S,10S,11S)-1,11-dihydroxy-10-methyl-6-[(E)-4-methylpent-2-enylidene]-4-oxatricyclo[8.3.1.02,7]tetradecan-3-one
| Internal ID | 2d1cc02c-0710-4097-adea-25fd3f2372d2 |
| Taxonomy | Organoheterocyclic compounds > Lactones > Delta valerolactones |
| IUPAC Name | (1R,2R,6Z,7S,10S,11S)-1,11-dihydroxy-10-methyl-6-[(E)-4-methylpent-2-enylidene]-4-oxatricyclo[8.3.1.02,7]tetradecan-3-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H30O4/c1-13(2)5-4-6-14-11-24-18(22)17-15(14)7-9-19(3)12-20(17,23)10-8-16(19)21/h4-6,13,15-17,21,23H,7-12H2,1-3H3/b5-4+,14-6+/t15-,16+,17+,19+,20-/m1/s1 |
| InChI Key | PWRBRSYLZUIGKX-ZZKMWLGESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H30O4 |
| Molecular Weight | 334.40 g/mol |
| Exact Mass | 334.21440943 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of (1R,2R,6Z,7S,10S,11S)-1,11-dihydroxy-10-methyl-6-[(E)-4-methylpent-2-enylidene]-4-oxatricyclo[8.3.1.02,7]tetradecan-3-one](https://plantaedb.com/storage/docs/compounds/2023/11/308f9b50-85bc-11ee-98a6-af56084cd5dd.jpg "2D Structure of (1R,2R,6Z,7S,10S,11S)-1,11-dihydroxy-10-methyl-6-[(E)-4-methylpent-2-enylidene]-4-oxatricyclo[8.3.1.02,7]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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.18% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.95% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.33% | 97.25% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 90.57% | 94.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.10% | 98.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.83% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.75% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.04% | 97.09% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 86.35% | 85.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.71% | 89.00% |
| CHEMBL2431 | P31751 | Serine/threonine-protein kinase AKT2 | 84.13% | 98.33% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 83.64% | 90.08% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.79% | 95.89% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 81.42% | 90.93% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.41% | 90.71% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.34% | 93.56% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 81.30% | 90.24% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.17% | 97.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.66% | 95.89% |
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 | 100927238 |
| LOTUS | LTS0214442 |
| wikiData | Q105215958 |