(3Z,5E,15Z,24Z)-18-hydroxy-9-methoxy-3,6,19,24-tetramethyl-20-[(Z)-3-methylbut-1-enyl]-7-methylidene-21,26-dioxa-16-azabicyclo[13.10.3]octacosa-3,5,15(28),24-tetraene-17,22,27-trione
| Internal ID | 204afac4-4734-4b2f-a573-c08ecaa8898d |
| Taxonomy | Phenylpropanoids and polyketides > Macrolactams |
| IUPAC Name | (3Z,5E,15Z,24Z)-18-hydroxy-9-methoxy-3,6,19,24-tetramethyl-20-[(Z)-3-methylbut-1-enyl]-7-methylidene-21,26-dioxa-16-azabicyclo[13.10.3]octacosa-3,5,15(28),24-tetraene-17,22,27-trione |
| SMILES (Canonical) | CC1C(OC(=O)CC(=CC2CC(=CC=C(C(=C)CC(CCCCCC(=CC(=O)O2)NC(=O)C1O)OC)C)C)C)C=CC(C)C |
| SMILES (Isomeric) | CC1C(OC(=O)C/C(=C\C2C/C(=C\C=C(\C(=C)CC(CCCCC/C(=C/C(=O)O2)/NC(=O)C1O)OC)/C)/C)/C)/C=C\C(C)C |
| InChI | InChI=1S/C36H53NO7/c1-23(2)14-17-32-28(7)35(40)36(41)37-29-12-10-9-11-13-30(42-8)21-27(6)26(5)16-15-24(3)18-31(43-34(39)22-29)19-25(4)20-33(38)44-32/h14-17,19,22-23,28,30-32,35,40H,6,9-13,18,20-21H2,1-5,7-8H3,(H,37,41)/b17-14-,24-15-,25-19-,26-16+,29-22- |
| InChI Key | DPIUYTPGQBRNHI-NVWHZFMVSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C36H53NO7 |
| Molecular Weight | 611.80 g/mol |
| Exact Mass | 611.38220303 g/mol |
| Topological Polar Surface Area (TPSA) | 111.00 Ų |
| XlogP | 5.50 |
| There are no found synonyms. |
![2D Structure of (3Z,5E,15Z,24Z)-18-hydroxy-9-methoxy-3,6,19,24-tetramethyl-20-[(Z)-3-methylbut-1-enyl]-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/f3d8a6d0-853b-11ee-9803-07c0cfc7460f.jpg "2D Structure of (3Z,5E,15Z,24Z)-18-hydroxy-9-methoxy-3,6,19,24-tetramethyl-20-[(Z)-3-methylbut-1-enyl]-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.54% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.92% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.71% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.01% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.46% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.83% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.69% | 97.09% |
| CHEMBL4072 | P07858 | Cathepsin B | 92.11% | 93.67% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.00% | 85.14% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 91.00% | 94.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.80% | 95.89% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.97% | 90.71% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 88.34% | 97.05% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 88.19% | 90.08% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.96% | 93.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.36% | 99.23% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 86.62% | 95.56% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 86.49% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.68% | 91.19% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 85.09% | 95.92% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 84.23% | 86.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.19% | 96.47% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.47% | 89.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.44% | 95.50% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.29% | 94.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 82.09% | 93.40% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.57% | 98.75% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 81.38% | 92.88% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.08% | 100.00% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 80.03% | 83.00% |
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 | 119080539 |
| LOTUS | LTS0080379 |
| wikiData | Q104986526 |