Dalestone B
| Internal ID | 825a4d1b-9493-4eb7-8f7f-d20d3c86159b |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols |
| IUPAC Name | (4R,5S)-5-hydroxy-5-[(8R)-8-hydroxydecyl]-4-(hydroxymethyl)-3-methoxycyclopent-2-en-1-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C17H30O5/c1-3-13(19)9-7-5-4-6-8-10-17(21)14(12-18)15(22-2)11-16(17)20/h11,13-14,18-19,21H,3-10,12H2,1-2H3/t13-,14+,17+/m1/s1 |
| InChI Key | ZULNNSMQYVLVEQ-KEYYUXOJSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C17H30O5 |
| Molecular Weight | 314.40 g/mol |
| Exact Mass | 314.20932405 g/mol |
| Topological Polar Surface Area (TPSA) | 87.00 Ų |
| XlogP | 2.50 |
| RefChem:130815 |
| CHEBI:212404 |
| (4R,5S)-5-hydroxy-5-[(8R)-8-hydroxydecyl]-4-(hydroxymethyl)-3-methoxycyclopent-2-en-1-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.06% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.99% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.90% | 91.11% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 94.02% | 94.75% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.87% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.25% | 95.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 86.09% | 93.99% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 85.31% | 98.03% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.01% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.34% | 94.45% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 83.26% | 97.29% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 81.19% | 92.88% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 80.49% | 92.86% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.43% | 99.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.25% | 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.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 146683616 |
| LOTUS | LTS0125003 |
| wikiData | Q105383784 |