2,3-dimethoxy-5-methyl-6-[(E)-3-methyl-12-sulfanyldodec-2-enyl]pyran-4-one
| Internal ID | cc6571f7-589e-4cb1-836f-fc4616a74032 |
| Taxonomy | Organoheterocyclic compounds > Pyrans > Pyranones and derivatives |
| IUPAC Name | 2,3-dimethoxy-5-methyl-6-[(E)-3-methyl-12-sulfanyldodec-2-enyl]pyran-4-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H34O4S/c1-16(12-10-8-6-5-7-9-11-15-26)13-14-18-17(2)19(22)20(23-3)21(24-4)25-18/h13,26H,5-12,14-15H2,1-4H3/b16-13+ |
| InChI Key | DHJSSVXNRTUOIN-DTQAZKPQSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C21H34O4S |
| Molecular Weight | 382.60 g/mol |
| Exact Mass | 382.21778074 g/mol |
| Topological Polar Surface Area (TPSA) | 45.80 Ų |
| XlogP | 6.40 |
| There are no found synonyms. |
![2D Structure of 2,3-dimethoxy-5-methyl-6-[(E)-3-methyl-12-sulfanyldodec-2-enyl]pyran-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/lehualide-d.jpg "2D Structure of 2,3-dimethoxy-5-methyl-6-[(E)-3-methyl-12-sulfanyldodec-2-enyl]pyran-4-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 |
|---|---|---|---|---|
| CHEMBL1829 | O15379 | Histone deacetylase 3 | 96.14% | 95.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.98% | 91.11% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 91.82% | 93.99% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 91.10% | 94.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.68% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.48% | 99.17% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 89.84% | 95.92% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.30% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.10% | 98.95% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 85.67% | 90.08% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.71% | 99.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.27% | 94.45% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 81.73% | 85.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.73% | 96.09% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 80.32% | 92.97% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.13% | 96.00% |
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 | 11596094 |
| LOTUS | LTS0218627 |
| wikiData | Q104980228 |