7-[2-(Furan-3-yl)-2-hydroxyethyl]-11-hydroxy-2-(hydroxymethyl)-13-methyl-9-oxatricyclo[5.3.3.01,6]tridec-2-en-8-one
| Internal ID | a0319673-95af-48ea-a2b3-194d184057ea |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Diterpene lactones |
| IUPAC Name | 7-[2-(furan-3-yl)-2-hydroxyethyl]-11-hydroxy-2-(hydroxymethyl)-13-methyl-9-oxatricyclo[5.3.3.01,6]tridec-2-en-8-one |
| SMILES (Canonical) | CC1CC(C23COC(=O)C1(C2CCC=C3CO)CC(C4=COC=C4)O)O |
| SMILES (Isomeric) | CC1CC(C23COC(=O)C1(C2CCC=C3CO)CC(C4=COC=C4)O)O |
| InChI | InChI=1S/C20H26O6/c1-12-7-17(23)20-11-26-18(24)19(12,8-15(22)13-5-6-25-10-13)16(20)4-2-3-14(20)9-21/h3,5-6,10,12,15-17,21-23H,2,4,7-9,11H2,1H3 |
| InChI Key | NGSYRDXEWFLBAS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H26O6 |
| Molecular Weight | 362.40 g/mol |
| Exact Mass | 362.17293854 g/mol |
| Topological Polar Surface Area (TPSA) | 100.00 Ų |
| XlogP | 0.70 |
| There are no found synonyms. |
![2D Structure of 7-[2-(Furan-3-yl)-2-hydroxyethyl]-11-hydroxy-2-(hydroxymethyl)-13-methyl-9-oxatricyclo[5.3.3.01,6]tridec-2-en-8-one](https://plantaedb.com/storage/docs/compounds/2023/11/39fcbf80-85c4-11ee-ab40-2927b5e66d4c.jpg "2D Structure of 7-[2-(Furan-3-yl)-2-hydroxyethyl]-11-hydroxy-2-(hydroxymethyl)-13-methyl-9-oxatricyclo[5.3.3.01,6]tridec-2-en-8-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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.31% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.21% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.14% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.49% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.45% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.85% | 91.11% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 91.29% | 96.77% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.66% | 89.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 88.98% | 93.40% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.98% | 95.56% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 87.75% | 94.80% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.28% | 97.25% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.14% | 90.17% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.14% | 100.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 82.21% | 95.93% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.56% | 97.14% |
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.
| Teucrium botrys |
| Teucrium polium |
| PubChem | 14021446 |
| LOTUS | LTS0149115 |
| wikiData | Q105179167 |