Azalomycin F4a 2-ethylpentyl ester
| Internal ID | 2e5e809e-822b-4d5a-84d5-ee94ba25cc69 |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | 3-O-[(10Z,12Z,18Z,20Z)-3,7,9,23,25,27,31,33,34,35-decahydroxy-10,14,18,22,26,30-hexamethyl-15-[(E)-10-[(N'-methylcarbamimidoyl)amino]dec-6-en-2-yl]-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,18,20-tetraen-5-yl] 1-O-(2-ethylpentyl) propanedioate |
| SMILES (Canonical) | CCCC(CC)COC(=O)CC(=O)OC1CC(CC2CC(C(C(O2)(CC(C(CCC(C(C(CC(C(C=CC=C(C(=O)OC(C(C=CC=C(C(CC(C1)O)O)C)C)C(C)CCCC=CCCCNC(=NC)N)C)C)O)O)C)O)C)O)O)O)O)O |
| SMILES (Isomeric) | CCCC(CC)COC(=O)CC(=O)OC1CC(CC2CC(C(C(O2)(CC(C(CCC(C(C(CC(C(/C=C\C=C(/C(=O)OC(C(/C=C\C=C(/C(CC(C1)O)O)\C)C)C(C)CCC/C=C/CCCNC(=NC)N)\C)C)O)O)C)O)C)O)O)O)O)O |
| InChI | InChI=1S/C63H109N3O17/c1-11-21-46(12-2)38-80-57(75)36-58(76)81-49-30-47(67)32-50-34-55(73)60(77)63(79,83-50)37-56(74)41(5)27-28-51(69)45(9)54(72)35-53(71)40(4)24-20-26-44(8)61(78)82-59(43(7)25-19-23-39(3)52(70)33-48(68)31-49)42(6)22-17-15-13-14-16-18-29-66-62(64)65-10/h13-14,19-20,23-26,40-43,45-56,59-60,67-74,77,79H,11-12,15-18,21-22,27-38H2,1-10H3,(H3,64,65,66)/b14-13+,24-20-,25-19-,39-23-,44-26- |
| InChI Key | GHXGVGWREDOHFM-TTZJCZNXSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C63H109N3O17 |
| Molecular Weight | 1180.50 g/mol |
| Exact Mass | 1179.77569902 g/mol |
| Topological Polar Surface Area (TPSA) | 341.00 Ų |
| XlogP | 7.20 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.66% | 91.11% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 97.83% | 96.38% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 97.60% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.31% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.24% | 95.56% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 95.49% | 89.63% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 94.82% | 96.76% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 94.16% | 95.71% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.15% | 98.95% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 93.81% | 95.93% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.45% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.57% | 94.45% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 92.34% | 96.47% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.27% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.52% | 94.73% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.33% | 99.23% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 91.10% | 95.89% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 89.38% | 100.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 89.12% | 94.80% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 88.75% | 94.33% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 88.65% | 93.56% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.14% | 91.19% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 87.10% | 91.07% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.51% | 86.33% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 86.29% | 97.21% |
| CHEMBL4506 | Q96EB6 | NAD-dependent deacetylase sirtuin 1 | 86.13% | 88.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.23% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.02% | 89.00% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 84.53% | 98.03% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.47% | 96.00% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 84.26% | 94.08% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 84.25% | 96.77% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 84.22% | 96.90% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 83.81% | 100.00% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 83.52% | 98.75% |
| CHEMBL5028 | O14672 | ADAM10 | 83.25% | 97.50% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.93% | 100.00% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 82.46% | 96.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.35% | 82.69% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.60% | 98.75% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 81.35% | 92.32% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.62% | 90.71% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.22% | 96.95% |
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 | 139585016 |
| LOTUS | LTS0114835 |
| wikiData | Q77380935 |