[(1S,5E,7S,12R)-5,13,13-trimethyl-9-methylidene-3,14-dioxo-2-oxabicyclo[10.2.2]hexadec-5-en-7-yl] benzoate
| Internal ID | c7c4016e-3bec-44bd-8a3f-ec765acb630d |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Benzoic acid esters |
| IUPAC Name | [(1S,5E,7S,12R)-5,13,13-trimethyl-9-methylidene-3,14-dioxo-2-oxabicyclo[10.2.2]hexadec-5-en-7-yl] benzoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H32O5/c1-17-10-11-20-12-13-22(24(28)26(20,3)4)31-23(27)16-18(2)15-21(14-17)30-25(29)19-8-6-5-7-9-19/h5-9,15,20-22H,1,10-14,16H2,2-4H3/b18-15+/t20-,21+,22+/m1/s1 |
| InChI Key | YNUBGURWGSHOJE-MQMKGASSSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C26H32O5 |
| Molecular Weight | 424.50 g/mol |
| Exact Mass | 424.22497412 g/mol |
| Topological Polar Surface Area (TPSA) | 69.70 Ų |
| XlogP | 5.00 |
| There are no found synonyms. |
![2D Structure of [(1S,5E,7S,12R)-5,13,13-trimethyl-9-methylidene-3,14-dioxo-2-oxabicyclo[10.2.2]hexadec-5-en-7-yl] benzoate](https://plantaedb.com/storage/docs/compounds/2023/11/c0890770-85fa-11ee-80b1-297165be7156.jpg "2D Structure of [(1S,5E,7S,12R)-5,13,13-trimethyl-9-methylidene-3,14-dioxo-2-oxabicyclo[10.2.2]hexadec-5-en-7-yl] benzoate")
| 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 |
|---|---|---|---|---|
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 95.58% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.86% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.38% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.74% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.14% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.56% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.96% | 96.09% |
| CHEMBL5028 | O14672 | ADAM10 | 87.38% | 97.50% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 85.29% | 83.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.66% | 90.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.55% | 95.89% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.70% | 91.19% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.57% | 93.03% |
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.
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| There are no matching plants. |
| PubChem | 44410663 |
| LOTUS | LTS0124315 |
| wikiData | Q105351113 |