(1S,4S,6S,7R,10R,14Z)-7-hydroxy-14-[(E)-4-hydroxy-4-methylpent-2-enylidene]-4-methyl-9-methylidene-5,12-dioxatricyclo[8.4.0.04,6]tetradecan-13-one
| Internal ID | e8edbc3d-66d3-4e94-9aee-7bdc543a360c |
| Taxonomy | Organoheterocyclic compounds > Lactones > Delta valerolactones |
| IUPAC Name | (1S,4S,6S,7R,10R,14Z)-7-hydroxy-14-[(E)-4-hydroxy-4-methylpent-2-enylidene]-4-methyl-9-methylidene-5,12-dioxatricyclo[8.4.0.04,6]tetradecan-13-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H28O5/c1-12-10-16(21)17-20(4,25-17)9-7-13-14(6-5-8-19(2,3)23)18(22)24-11-15(12)13/h5-6,8,13,15-17,21,23H,1,7,9-11H2,2-4H3/b8-5+,14-6-/t13-,15+,16-,17+,20+/m1/s1 |
| InChI Key | DHTWVKTXQLZELP-WHZAQKEKSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H28O5 |
| Molecular Weight | 348.40 g/mol |
| Exact Mass | 348.19367399 g/mol |
| Topological Polar Surface Area (TPSA) | 79.30 Ų |
| XlogP | 1.40 |
| There are no found synonyms. |
![2D Structure of (1S,4S,6S,7R,10R,14Z)-7-hydroxy-14-[(E)-4-hydroxy-4-methylpent-2-enylidene]-4-methyl-9-methylidene-5,12-dioxatricyclo[8.4.0.04,6]tetradecan-13-one](https://plantaedb.com/storage/docs/compounds/2023/11/299e33c0-8642-11ee-a908-e158627145a7.jpg "2D Structure of (1S,4S,6S,7R,10R,14Z)-7-hydroxy-14-[(E)-4-hydroxy-4-methylpent-2-enylidene]-4-methyl-9-methylidene-5,12-dioxatricyclo[8.4.0.04,6]tetradecan-13-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 | 97.29% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.66% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.71% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.46% | 95.56% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 89.82% | 97.05% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.77% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.64% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.63% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.12% | 95.89% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 86.70% | 93.04% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.15% | 97.14% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 84.84% | 99.43% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.69% | 85.14% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 82.35% | 95.93% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 82.10% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.81% | 86.33% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 81.23% | 97.28% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.98% | 93.56% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 80.87% | 95.38% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 80.26% | 90.93% |
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 | 162879362 |
| LOTUS | LTS0052156 |
| wikiData | Q105103962 |