9-Ethyl-4-hydroxy-12-(1-hydroxyethyl)-3,15-dimethyl-13-oxa-19-azatetracyclo[18.3.1.05,23.015,21]tetracosa-1(23),2,4,10,16,20-hexaene-6,14,18,22,24-pentone
| Internal ID | 0540412f-4a9e-4c7c-836b-a1ffd3ba5d7c |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | 9-ethyl-4-hydroxy-12-(1-hydroxyethyl)-3,15-dimethyl-13-oxa-19-azatetracyclo[18.3.1.05,23.015,21]tetracosa-1(23),2,4,10,16,20-hexaene-6,14,18,22,24-pentone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H29NO8/c1-5-15-6-8-17(31)21-20-16(12-13(2)24(21)33)25(34)23-22(26(20)35)28(4,11-10-19(32)29-23)27(36)37-18(9-7-15)14(3)30/h7,9-12,14-15,18,30,33H,5-6,8H2,1-4H3,(H,29,32) |
| InChI Key | LTSASGAMBZVFMC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H29NO8 |
| Molecular Weight | 507.50 g/mol |
| Exact Mass | 507.18931688 g/mol |
| Topological Polar Surface Area (TPSA) | 147.00 Ų |
| XlogP | 3.30 |
| There are no found synonyms. |
![2D Structure of 9-Ethyl-4-hydroxy-12-(1-hydroxyethyl)-3,15-dimethyl-13-oxa-19-azatetracyclo[18.3.1.05,23.015,21]tetracosa-1(23),2,4,10,16,20-hexaene-6,14,18,22,24-pentone](https://plantaedb.com/storage/docs/compounds/2023/11/32a061c0-8215-11ee-a455-4d877dae303c.jpg "2D Structure of 9-Ethyl-4-hydroxy-12-(1-hydroxyethyl)-3,15-dimethyl-13-oxa-19-azatetracyclo[18.3.1.05,23.015,21]tetracosa-1(23),2,4,10,16,20-hexaene-6,14,18,22,24-pentone")
| 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 |
|---|---|---|---|---|
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 99.15% | 96.38% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.80% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.01% | 91.11% |
| CHEMBL4361 | Q07820 | Induced myeloid leukemia cell differentiation protein Mcl-1 | 95.78% | 95.52% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 94.84% | 94.75% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 94.56% | 96.21% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.42% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.13% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 93.99% | 99.23% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 93.31% | 93.03% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.37% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.26% | 94.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.61% | 100.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 90.60% | 96.47% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 90.57% | 95.34% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.61% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.15% | 96.09% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 88.40% | 96.00% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 88.07% | 85.11% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 87.31% | 83.10% |
| CHEMBL2073 | P07947 | Tyrosine-protein kinase YES | 86.82% | 83.14% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 86.55% | 93.18% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.52% | 90.71% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 85.33% | 90.08% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.15% | 94.73% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.54% | 93.56% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 82.51% | 99.18% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.96% | 97.25% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.13% | 94.00% |
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 | 162906564 |
| LOTUS | LTS0094792 |
| wikiData | Q104171309 |