(3Z,5E,15Z,24Z)-20-[(Z)-but-1-enyl]-18-hydroxy-9-methoxy-3,6,19,24-tetramethyl-7-methylidene-21,26-dioxa-16-azabicyclo[13.10.3]octacosa-3,5,15(28),24-tetraene-17,22,27-trione
| Internal ID | 9bb5d712-0461-4331-9b60-7c3e3fab0f58 |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | (3Z,5E,15Z,24Z)-20-[(Z)-but-1-enyl]-18-hydroxy-9-methoxy-3,6,19,24-tetramethyl-7-methylidene-21,26-dioxa-16-azabicyclo[13.10.3]octacosa-3,5,15(28),24-tetraene-17,22,27-trione |
| SMILES (Canonical) | CCC=CC1C(C(C(=O)NC2=CC(=O)OC(CC(=CC=C(C(=C)CC(CCCCC2)OC)C)C)C=C(CC(=O)O1)C)O)C |
| SMILES (Isomeric) | CC/C=C\C1C(C(C(=O)N/C/2=C\C(=O)OC(C/C(=C\C=C(\C(=C)CC(CCCCC2)OC)/C)/C)/C=C(\CC(=O)O1)/C)O)C |
| InChI | InChI=1S/C35H51NO7/c1-8-9-15-31-27(6)34(39)35(40)36-28-13-11-10-12-14-29(41-7)21-26(5)25(4)17-16-23(2)18-30(42-33(38)22-28)19-24(3)20-32(37)43-31/h9,15-17,19,22,27,29-31,34,39H,5,8,10-14,18,20-21H2,1-4,6-7H3,(H,36,40)/b15-9-,23-16-,24-19-,25-17+,28-22- |
| InChI Key | SHTTVDQQBMSJEW-PJGWRMFZSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C35H51NO7 |
| Molecular Weight | 597.80 g/mol |
| Exact Mass | 597.36655297 g/mol |
| Topological Polar Surface Area (TPSA) | 111.00 Ų |
| XlogP | 5.20 |
| There are no found synonyms. |
![2D Structure of (3Z,5E,15Z,24Z)-20-[(Z)-but-1-enyl]-18-hydroxy-9-methoxy-3,6,19,24-tetramethyl-7-methylidene-21,26-dioxa-16-azabicyclo[13.10.3]octacosa-3,5,15(28),24-tetraene-17,22,27-trione](https://plantaedb.com/storage/docs/compounds/2023/11/6f9c3f60-86be-11ee-b0f8-47daefae9a17.jpg "2D Structure of (3Z,5E,15Z,24Z)-20-[(Z)-but-1-enyl]-18-hydroxy-9-methoxy-3,6,19,24-tetramethyl-7-methylidene-21,26-dioxa-16-azabicyclo[13.10.3]octacosa-3,5,15(28),24-tetraene-17,22,27-trione")
| 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 | 98.21% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.11% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.86% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.76% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.24% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.80% | 97.09% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 92.19% | 97.05% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 92.07% | 94.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.73% | 94.45% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 88.71% | 90.08% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.83% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.22% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.44% | 86.33% |
| CHEMBL239 | Q07869 | Peroxisome proliferator-activated receptor alpha | 85.03% | 90.75% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 84.60% | 95.92% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.43% | 100.00% |
| CHEMBL4072 | P07858 | Cathepsin B | 83.61% | 93.67% |
| CHEMBL5957 | P21589 | 5'-nucleotidase | 83.14% | 97.78% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.00% | 99.23% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.84% | 92.94% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.11% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.92% | 89.00% |
| CHEMBL3230 | O95977 | Sphingosine 1-phosphate receptor Edg-6 | 81.77% | 94.01% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 81.08% | 94.78% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.49% | 92.62% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 80.38% | 86.00% |
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.
| Vitis vinifera |
| PubChem | 119080538 |
| LOTUS | LTS0141381 |
| wikiData | Q105228913 |