1,19-Dihydroxy-5-(6-hydroxy-3,5-dimethylhepta-1,3-dienyl)-6,16,20-trimethoxy-2,10,14-trimethyl-4,21-dioxabicyclo[15.3.1]henicosa-9,11,15-trien-3-one
| Internal ID | 5f6f18ec-82cf-4c26-b7f1-36bc825008c1 |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | 1,19-dihydroxy-5-(6-hydroxy-3,5-dimethylhepta-1,3-dienyl)-6,16,20-trimethoxy-2,10,14-trimethyl-4,21-dioxabicyclo[15.3.1]henicosa-9,11,15-trien-3-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C34H54O9/c1-21-12-10-14-22(2)19-30(40-8)31-20-27(36)32(41-9)34(38,43-31)25(5)33(37)42-29(28(39-7)15-11-13-21)17-16-23(3)18-24(4)26(6)35/h10,12-13,16-19,22,24-29,31-32,35-36,38H,11,14-15,20H2,1-9H3 |
| InChI Key | AJKVFABIUCMHIE-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C34H54O9 |
| Molecular Weight | 606.80 g/mol |
| Exact Mass | 606.37678330 g/mol |
| Topological Polar Surface Area (TPSA) | 124.00 Ų |
| XlogP | 4.50 |
| There are no found synonyms. |
![2D Structure of 1,19-Dihydroxy-5-(6-hydroxy-3,5-dimethylhepta-1,3-dienyl)-6,16,20-trimethoxy-2,10,14-trimethyl-4,21-dioxabicyclo[15.3.1]henicosa-9,11,15-trien-3-one](https://plantaedb.com/storage/docs/compounds/2023/11/a61bf980-8561-11ee-a3bc-634d2d6a6932.jpg "2D Structure of 1,19-Dihydroxy-5-(6-hydroxy-3,5-dimethylhepta-1,3-dienyl)-6,16,20-trimethoxy-2,10,14-trimethyl-4,21-dioxabicyclo[15.3.1]henicosa-9,11,15-trien-3-one")
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.92% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.39% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.62% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.69% | 95.56% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 93.34% | 91.07% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.87% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.71% | 94.45% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 92.31% | 94.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.09% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.96% | 98.95% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 89.80% | 97.14% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 89.50% | 95.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.88% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.39% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.36% | 89.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 87.21% | 97.79% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 85.68% | 95.58% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 84.86% | 90.08% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 84.37% | 97.05% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.53% | 93.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.04% | 100.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.80% | 92.62% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.65% | 91.19% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.41% | 93.03% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 81.87% | 99.18% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.69% | 96.47% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 80.35% | 95.92% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.20% | 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.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 163061830 |
| LOTUS | LTS0171642 |
| wikiData | Q103816173 |