Alternapyrone B
| Internal ID | 29ae233a-6cf1-4574-b742-3121e71036af |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Diterpene lactones |
| IUPAC Name | 2-[6-(4-hydroxy-3,5-dimethyl-6-oxopyran-2-yl)-2,4-dimethylhepta-1,3-dienyl]-6,8-dimethyldec-6-enoic acid |
| SMILES (Canonical) | CCC(C)C=C(C)CCCC(C=C(C)C=C(C)CC(C)C1=C(C(=C(C(=O)O1)C)O)C)C(=O)O |
| SMILES (Isomeric) | CCC(C)C=C(C)CCCC(C=C(C)C=C(C)CC(C)C1=C(C(=C(C(=O)O1)C)O)C)C(=O)O |
| InChI | InChI=1S/C28H42O5/c1-9-17(2)13-18(3)11-10-12-24(27(30)31)16-20(5)14-19(4)15-21(6)26-22(7)25(29)23(8)28(32)33-26/h13-14,16-17,21,24,29H,9-12,15H2,1-8H3,(H,30,31) |
| InChI Key | NBTZRFXBXREKRF-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C28H42O5 |
| Molecular Weight | 458.60 g/mol |
| Exact Mass | 458.30322444 g/mol |
| Topological Polar Surface Area (TPSA) | 83.80 Ų |
| XlogP | 7.60 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.68% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.67% | 91.11% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 95.55% | 93.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.52% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.40% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.26% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.68% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.14% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.33% | 99.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.73% | 94.45% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 85.10% | 95.50% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.68% | 96.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.16% | 99.15% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 80.51% | 100.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.28% | 97.21% |
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.
| There are no matching plants. |
| PubChem | 139591184 |
| LOTUS | LTS0097358 |
| wikiData | Q104172274 |