(1S,7Z,9S,13R,15R)-13-[(2S)-butan-2-yl]-13-hydroxy-3,7,12-trimethyl-10,14,16-trioxatetracyclo[7.5.1.13,6.012,15]hexadeca-5,7-diene-4,11-dione
| Internal ID | 06a1c496-b2b6-40e4-a8b3-3b3e8abb68ca |
| Taxonomy | Organoheterocyclic compounds > Furofurans |
| IUPAC Name | (1S,7Z,9S,13R,15R)-13-[(2S)-butan-2-yl]-13-hydroxy-3,7,12-trimethyl-10,14,16-trioxatetracyclo[7.5.1.13,6.012,15]hexadeca-5,7-diene-4,11-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H26O6/c1-6-11(3)20(23)19(5)16-13(24-17(19)22)7-10(2)12-8-15(21)18(4,25-12)9-14(16)26-20/h7-8,11,13-14,16,23H,6,9H2,1-5H3/b10-7-/t11-,13-,14-,16-,18?,19?,20+/m0/s1 |
| InChI Key | ABLNQMKQYJQVRR-QNYDSLNSSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H26O6 |
| Molecular Weight | 362.40 g/mol |
| Exact Mass | 362.17293854 g/mol |
| Topological Polar Surface Area (TPSA) | 82.10 Ų |
| XlogP | 1.90 |
| There are no found synonyms. |
![2D Structure of (1S,7Z,9S,13R,15R)-13-[(2S)-butan-2-yl]-13-hydroxy-3,7,12-trimethyl-10,14,16-trioxatetracyclo[7.5.1.13,6.012,15]hexadeca-5,7-diene-4,11-dione](https://plantaedb.com/storage/docs/compounds/2023/11/8337f3d0-83bc-11ee-a8fe-e1334f2435d0.jpg "2D Structure of (1S,7Z,9S,13R,15R)-13-[(2S)-butan-2-yl]-13-hydroxy-3,7,12-trimethyl-10,14,16-trioxatetracyclo[7.5.1.13,6.012,15]hexadeca-5,7-diene-4,11-dione")
| 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 | 97.08% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.21% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.94% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.64% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.46% | 95.56% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 89.85% | 96.47% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 89.46% | 96.38% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.13% | 94.75% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 87.68% | 96.61% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.07% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.74% | 89.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.84% | 93.56% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 82.66% | 89.63% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.22% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.64% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.49% | 94.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.31% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.08% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.89% | 99.23% |
| CHEMBL1871 | P10275 | Androgen Receptor | 80.37% | 96.43% |
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.
| Eremanthus elaeagnus |
| PubChem | 163186487 |
| LOTUS | LTS0050939 |
| wikiData | Q104908675 |