Antarlide E
| Internal ID | aae57c66-0699-4ff7-8fd2-010beb7898e6 |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | (3E,5Z,7E,9E,12R,13E,15E,17R,20S,22S)-12,20-dihydroxy-22-[(1R,2S)-1-hydroxy-1-(3-hydroxyphenyl)propan-2-yl]-3,13,17-trimethyl-1-oxacyclodocosa-3,5,7,9,13,15-hexaen-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C33H44O6/c1-23-13-11-15-24(2)30(36)18-10-8-6-5-7-9-14-25(3)33(38)39-31(22-29(35)20-19-23)26(4)32(37)27-16-12-17-28(34)21-27/h5-17,21,23,26,29-32,34-37H,18-20,22H2,1-4H3/b6-5+,9-7-,10-8+,13-11+,24-15+,25-14+/t23-,26+,29-,30+,31-,32+/m0/s1 |
| InChI Key | YNAQNPGWTKBAKU-AFNFQCBQSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C33H44O6 |
| Molecular Weight | 536.70 g/mol |
| Exact Mass | 536.31378912 g/mol |
| Topological Polar Surface Area (TPSA) | 107.00 Ų |
| XlogP | 6.50 |
| RefChem:112952 |
| CHEBI:219338 |
| (3E,5Z,7E,9E,12R,13E,15E,17R,20S,22S)-12,20-dihydroxy-22-[(1R,2S)-1-hydroxy-1-(3-hydroxyphenyl)propan-2-yl]-3,13,17-trimethyl-1-oxacyclodocosa-3,5,7,9,13,15-hexaen-2-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 95.71% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.65% | 95.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 94.82% | 93.40% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.21% | 91.11% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 93.84% | 94.80% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 93.64% | 99.15% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 91.90% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.67% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.34% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.06% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.11% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.57% | 86.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.56% | 98.75% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 88.30% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.30% | 90.71% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 86.79% | 99.18% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.69% | 93.56% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 86.57% | 93.03% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.65% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.88% | 95.89% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.65% | 85.14% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 83.63% | 97.23% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.73% | 97.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.54% | 90.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.23% | 97.25% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 81.69% | 85.31% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.21% | 91.07% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 80.56% | 93.18% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 139591478 |
| LOTUS | LTS0187125 |
| wikiData | Q105350849 |