8-Ethoxy-4-hydroxy-6,6,8-trimethyl-4,4a,5,6,7,7a,8,9-octahydroazuleno[5,6-c]furan-1(3H)-one
| Internal ID | 497b8e98-8abb-496c-bddb-8d33fbb71e06 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | 5-ethoxy-9-hydroxy-5,7,7-trimethyl-4,5a,6,8,8a,9-hexahydro-1H-azuleno[5,6-c]furan-3-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C17H26O4/c1-5-21-17(4)7-10-12(9-20-15(10)19)14(18)11-6-16(2,3)8-13(11)17/h11,13-14,18H,5-9H2,1-4H3 |
| InChI Key | CPIWQHDTPYKJDN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H26O4 |
| Molecular Weight | 294.40 g/mol |
| Exact Mass | 294.18310931 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 1.60 |
| 8-Ethoxy-4-hydroxy-6,6,8-trimethyl-4,4a,5,6,7,7a,8,9-octahydroazuleno[5,6-c]furan-1(3H)-one # |
| Azuleno[5,6-c]furan-1(3H)-one, 8-ethoxy-4,4a,5,6,7,7a,8,9-octahydro-4-hydroxy-6,6,8-trimethyl-, [4S-(4.alpha.,4a.alpha.,7a.alpha.,8.alpha.)]- |
![2D Structure of 8-Ethoxy-4-hydroxy-6,6,8-trimethyl-4,4a,5,6,7,7a,8,9-octahydroazuleno[5,6-c]furan-1(3H)-one](https://plantaedb.com/storage/docs/compounds/2023/11/8-ethoxy-4-hydroxy-668-trimethyl-44a5677a89-octahydroazuleno56-cfuran-13h-one.jpg "2D Structure of 8-Ethoxy-4-hydroxy-6,6,8-trimethyl-4,4a,5,6,7,7a,8,9-octahydroazuleno[5,6-c]furan-1(3H)-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.07% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.86% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.73% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.51% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.17% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.76% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.22% | 95.56% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 88.34% | 97.79% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.03% | 85.14% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.88% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.16% | 86.33% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.02% | 90.17% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.71% | 99.23% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.51% | 96.77% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.60% | 97.14% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 80.55% | 98.03% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.52% | 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.
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| There are no matching plants. |
| PubChem | 540741 |
| LOTUS | LTS0103434 |
| wikiData | Q103817923 |