13,17-epoxy-16-hydroxy macrolactin A
| Internal ID | dfe0e090-08f2-47fc-995d-57218e18430b |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | (1S,2E,7R,10Z,12E,15S,16E,18Z,21S,23R,24R)-15,23,24-trihydroxy-7-methyl-8,25-dioxabicyclo[19.3.1]pentacosa-2,10,12,16,18-pentaen-9-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H34O6/c1-18-11-5-2-9-15-22-24(28)21(26)17-20(30-22)14-8-3-6-12-19(25)13-7-4-10-16-23(27)29-18/h3-4,6-10,12,15-16,18-22,24-26,28H,2,5,11,13-14,17H2,1H3/b7-4+,8-3-,12-6+,15-9+,16-10-/t18-,19-,20+,21-,22+,24-/m1/s1 |
| InChI Key | CTOADWSMRKKIPA-DFHMHTEDSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C24H34O6 |
| Molecular Weight | 418.50 g/mol |
| Exact Mass | 418.23553880 g/mol |
| Topological Polar Surface Area (TPSA) | 96.20 Ų |
| XlogP | 3.40 |
| RefChem:78391 |
| CHEMBL1926998 |
| SCHEMBL31049252 |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.39% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.78% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.26% | 97.09% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 89.93% | 91.07% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.92% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.09% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.85% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.73% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.69% | 99.23% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 86.46% | 89.63% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 84.38% | 87.67% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.99% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.22% | 90.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.84% | 90.71% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 82.39% | 86.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 80.93% | 96.77% |
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 | 56649386 |
| LOTUS | LTS0124173 |
| wikiData | Q77520844 |