5-(10,11-dihydroxy-3,7,11-trimethyldodeca-3,7-dienoxy)-4,6-dihydroxy-3H-2-benzofuran-1-one
| Internal ID | 624c3c46-bfdc-4522-9173-3259d3f9c7a3 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | 5-(10,11-dihydroxy-3,7,11-trimethyldodeca-3,7-dienoxy)-4,6-dihydroxy-3H-2-benzofuran-1-one |
| SMILES (Canonical) | CC(=CCCC(=CCC(C(C)(C)O)O)C)CCOC1=C(C=C2C(=C1O)COC2=O)O |
| SMILES (Isomeric) | CC(=CCCC(=CCC(C(C)(C)O)O)C)CCOC1=C(C=C2C(=C1O)COC2=O)O |
| InChI | InChI=1S/C23H32O7/c1-14(8-9-19(25)23(3,4)28)6-5-7-15(2)10-11-29-21-18(24)12-16-17(20(21)26)13-30-22(16)27/h7-8,12,19,24-26,28H,5-6,9-11,13H2,1-4H3 |
| InChI Key | RPJDHRTUFGAQKI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H32O7 |
| Molecular Weight | 420.50 g/mol |
| Exact Mass | 420.21480336 g/mol |
| Topological Polar Surface Area (TPSA) | 116.00 Ų |
| XlogP | 3.60 |
| There are no found synonyms. |
| 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 | 99.38% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.56% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.75% | 91.49% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 95.03% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.92% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.42% | 89.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.14% | 97.25% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.74% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.44% | 86.33% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 89.66% | 89.34% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.78% | 96.09% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 86.85% | 97.21% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.34% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.21% | 90.00% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 84.95% | 92.88% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.87% | 98.75% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.55% | 99.15% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.74% | 94.00% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 83.33% | 92.51% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 81.25% | 93.31% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.41% | 93.56% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 163075695 |
| LOTUS | LTS0070690 |
| wikiData | Q104196830 |