(1S,4S,6S,7R,10R,14E)-7-hydroxy-14-[(E)-4-methoxy-4-methylpent-2-enylidene]-4-methyl-9-methylidene-5,12-dioxatricyclo[8.4.0.04,6]tetradecan-13-one
| Internal ID | 4ce463dd-fd36-4b01-b505-4a36f6080f4c |
| Taxonomy | Organoheterocyclic compounds > Lactones > Delta valerolactones |
| IUPAC Name | (1S,4S,6S,7R,10R,14E)-7-hydroxy-14-[(E)-4-methoxy-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/C21H30O5/c1-13-11-17(22)18-21(4,26-18)10-8-14-15(19(23)25-12-16(13)14)7-6-9-20(2,3)24-5/h6-7,9,14,16-18,22H,1,8,10-12H2,2-5H3/b9-6+,15-7+/t14-,16+,17-,18+,21+/m1/s1 |
| InChI Key | GOBFFGOMBHMULO-UEHAYXLISA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C21H30O5 |
| Molecular Weight | 362.50 g/mol |
| Exact Mass | 362.20932405 g/mol |
| Topological Polar Surface Area (TPSA) | 68.30 Ų |
| XlogP | 1.90 |
| There are no found synonyms. |
![2D Structure of (1S,4S,6S,7R,10R,14E)-7-hydroxy-14-[(E)-4-methoxy-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/ae0db2e0-85c0-11ee-9f5f-35e48edf1461.jpg "2D Structure of (1S,4S,6S,7R,10R,14E)-7-hydroxy-14-[(E)-4-methoxy-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 | 96.67% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.98% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.39% | 97.25% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 91.98% | 97.05% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.09% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.36% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.20% | 97.09% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 90.14% | 97.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.03% | 86.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.01% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.62% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.55% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.07% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.90% | 99.23% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 83.61% | 97.28% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.45% | 94.45% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.86% | 91.19% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.75% | 93.04% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.89% | 91.07% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 80.48% | 95.38% |
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 | 53495841 |
| LOTUS | LTS0070136 |
| wikiData | Q105013656 |