6-[(2E,6E)-10,11-dihydro-11-hydroxy-farnesyl]-5,7-dihydroxy-4-methylphthalide
| Internal ID | 43d5df8c-aece-45b9-99fe-81493f0283a7 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | 5,7-dihydroxy-6-[(2E,6E)-11-hydroxy-3,7,11-trimethyldodeca-2,6-dienyl]-4-methyl-3H-2-benzofuran-1-one |
| SMILES (Canonical) | CC1=C2COC(=O)C2=C(C(=C1O)CC=C(C)CCC=C(C)CCCC(C)(C)O)O |
| SMILES (Isomeric) | CC1=C2COC(=O)C2=C(C(=C1O)C/C=C(\C)/CC/C=C(\C)/CCCC(C)(C)O)O |
| InChI | InChI=1S/C24H34O5/c1-15(10-7-13-24(4,5)28)8-6-9-16(2)11-12-18-21(25)17(3)19-14-29-23(27)20(19)22(18)26/h8,11,25-26,28H,6-7,9-10,12-14H2,1-5H3/b15-8+,16-11+ |
| InChI Key | MSVNFZWAKRWVFV-CFQQNRGVSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C24H34O5 |
| Molecular Weight | 402.50 g/mol |
| Exact Mass | 402.24062418 g/mol |
| Topological Polar Surface Area (TPSA) | 87.00 Ų |
| XlogP | 5.90 |
| 6-((2E,6E)-10,11-dihydro-11-hydroxy-farnesyl)-5,7-dihydroxy-4-methylphthalide |
| 5,7-dihydroxy-6-((2E,6E)-11-hydroxy-3,7,11-trimethyldodeca-2,6-dienyl)-4-methyl-3H-2-benzofuran-1-one |
| 5,7-dihydroxy-6-[(2E,6E)-11-hydroxy-3,7,11-trimethyldodeca-2,6-dienyl]-4-methyl-3H-2-benzofuran-1-one |
| RefChem:103935 |
| CHEMBL4590195 |
| CHEBI:225771 |
| 6-[(2E,6E)-10,11-dihydro-11-hydroxy-farnesyl]- 5,7-dihydroxy-4-methylphthalide |
| 5,7-dihydroxy-6-[(2E,6E)-11-hydroxy-3,7,11-trimethyldodeca-2,6-dienyl]-4-methyl-3H-2-benzouran-1-one |
![2D Structure of 6-[(2E,6E)-10,11-dihydro-11-hydroxy-farnesyl]-5,7-dihydroxy-4-methylphthalide](https://plantaedb.com/storage/docs/compounds/2023/11/6-2e6e-1011-dihydro-11-hydroxy-farnesyl-57-dihydroxy-4-methylphthalide.jpg "2D Structure of 6-[(2E,6E)-10,11-dihydro-11-hydroxy-farnesyl]-5,7-dihydroxy-4-methylphthalide")
| 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 | 98.85% | 91.11% |
| CHEMBL2002 | P12268 | Inosine-5'-monophosphate dehydrogenase 2 | 98.23% | 98.21% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.00% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.96% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.72% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.63% | 91.49% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 91.10% | 97.21% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 89.80% | 96.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.03% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.99% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.65% | 99.17% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 86.92% | 95.17% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 85.97% | 89.34% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.56% | 89.00% |
| CHEMBL5979 | P05186 | Alkaline phosphatase, tissue-nonspecific isozyme | 85.39% | 85.40% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 82.84% | 92.68% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 80.36% | 90.08% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 145721301 |
| LOTUS | LTS0111516 |
| wikiData | Q105171465 |