9-Ethoxy-3,4-dihydroxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-trien-15-one
| Internal ID | e6b20c96-09b8-4641-a3df-e846cc91c18e |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Diterpene lactones |
| IUPAC Name | 9-ethoxy-3,4-dihydroxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-trien-15-one |
| SMILES (Canonical) | CCOC1C2C3=CC(=C(C(=C3C4(C1C(CCC4)(C)C)C(=O)O2)O)O)C(C)C |
| SMILES (Isomeric) | CCOC1C2C3=CC(=C(C(=C3C4(C1C(CCC4)(C)C)C(=O)O2)O)O)C(C)C |
| InChI | InChI=1S/C22H30O5/c1-6-26-18-17-13-10-12(11(2)3)15(23)16(24)14(13)22(20(25)27-17)9-7-8-21(4,5)19(18)22/h10-11,17-19,23-24H,6-9H2,1-5H3 |
| InChI Key | FJMGWJZYOIMNBF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H30O5 |
| Molecular Weight | 374.50 g/mol |
| Exact Mass | 374.20932405 g/mol |
| Topological Polar Surface Area (TPSA) | 76.00 Ų |
| XlogP | 4.30 |
| There are no found synonyms. |
![2D Structure of 9-Ethoxy-3,4-dihydroxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-trien-15-one](https://plantaedb.com/storage/docs/compounds/2023/11/d8d1f760-85f9-11ee-b59f-ff8bb5575439.jpg "2D Structure of 9-Ethoxy-3,4-dihydroxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-trien-15-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 | 98.97% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.42% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.89% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.07% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.86% | 94.45% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 93.34% | 93.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.84% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.80% | 94.73% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.57% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.97% | 95.56% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 88.57% | 96.77% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.50% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.26% | 89.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.52% | 90.71% |
| CHEMBL233 | P35372 | Mu opioid receptor | 85.79% | 97.93% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 84.67% | 96.61% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.53% | 92.62% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.40% | 94.00% |
| CHEMBL236 | P41143 | Delta opioid receptor | 82.08% | 99.35% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 81.91% | 96.21% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.87% | 91.07% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.67% | 99.23% |
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.
| Rosmarinus officinalis |
| PubChem | 163038552 |
| LOTUS | LTS0134647 |
| wikiData | Q104996213 |