[7-[6-Hydroxy-8,15,23-trimethyl-14,25-dioxo-3-(2-oxopent-3-enyl)-2,17,28-trioxa-13,26-diazatricyclo[14.7.4.16,9]octacosan-18-yl]-3,5-dimethylhept-3-en-2-yl] acetate
| Internal ID | 31a109e8-8062-481c-9a1a-3831be7cb4fc |
| Taxonomy | Phenylpropanoids and polyketides > Macrolactams |
| IUPAC Name | [7-[6-hydroxy-8,15,23-trimethyl-14,25-dioxo-3-(2-oxopent-3-enyl)-2,17,28-trioxa-13,26-diazatricyclo[14.7.4.16,9]octacosan-18-yl]-3,5-dimethylhept-3-en-2-yl] acetate |
| SMILES (Canonical) | CC=CC(=O)CC1CCC2(CC(C(O2)CCCNC(=O)C(C3CNC(=O)CC(O1)C(CCCCC(O3)CCC(C)C=C(C)C(C)OC(=O)C)C)C)C)O |
| SMILES (Isomeric) | CC=CC(=O)CC1CCC2(CC(C(O2)CCCNC(=O)C(C3CNC(=O)CC(O1)C(CCCCC(O3)CCC(C)C=C(C)C(C)OC(=O)C)C)C)C)O |
| InChI | InChI=1S/C42H70N2O9/c1-9-13-34(46)23-36-19-20-42(49)25-30(5)37(53-42)16-12-21-43-41(48)31(6)39-26-44-40(47)24-38(52-36)28(3)14-10-11-15-35(51-39)18-17-27(2)22-29(4)32(7)50-33(8)45/h9,13,22,27-28,30-32,35-39,49H,10-12,14-21,23-26H2,1-8H3,(H,43,48)(H,44,47) |
| InChI Key | LSVIFGZELQKBJY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C42H70N2O9 |
| Molecular Weight | 747.00 g/mol |
| Exact Mass | 746.50813181 g/mol |
| Topological Polar Surface Area (TPSA) | 150.00 Ų |
| XlogP | 6.00 |
| There are no found synonyms. |
![2D Structure of [7-[6-Hydroxy-8,15,23-trimethyl-14,25-dioxo-3-(2-oxopent-3-enyl)-2,17,28-trioxa-13,26-diazatricyclo[14.7.4.16,9]octacosan-18-yl]-3,5-dimethylhept-3-en-2-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/712750d0-84b9-11ee-a7df-6ba42f22d422.jpg "2D Structure of [7-[6-Hydroxy-8,15,23-trimethyl-14,25-dioxo-3-(2-oxopent-3-enyl)-2,17,28-trioxa-13,26-diazatricyclo[14.7.4.16,9]octacosan-18-yl]-3,5-dimethylhept-3-en-2-yl] acetate")
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.32% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.37% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.15% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.69% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.04% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.42% | 98.95% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 92.34% | 90.08% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.13% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.59% | 89.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.56% | 93.56% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 89.84% | 96.61% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 87.98% | 95.50% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 87.20% | 91.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.36% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.35% | 95.89% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 84.83% | 95.38% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.18% | 100.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.84% | 92.62% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.57% | 97.14% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.37% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.27% | 86.33% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 82.98% | 96.21% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 82.48% | 88.56% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 81.91% | 95.93% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 81.72% | 97.64% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.63% | 92.94% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.57% | 89.50% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 81.08% | 96.39% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 81.00% | 95.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.56% | 100.00% |
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 | 162939434 |
| LOTUS | LTS0074056 |
| wikiData | Q105156779 |