2-[4-[(4E,6E,8S,11Z)-13-[(2R)-3-hydroxy-4-methyl-5-oxo-2H-furan-2-yl]-4,8,12-trimethyltrideca-4,6,11-trienyl]-5-oxo-2H-pyrrol-1-yl]acetic acid
| Internal ID | 37f8a159-133f-4791-a893-98b08ca64960 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Diterpene lactones |
| IUPAC Name | 2-[4-[(4E,6E,8S,11Z)-13-[(2R)-3-hydroxy-4-methyl-5-oxo-2H-furan-2-yl]-4,8,12-trimethyltrideca-4,6,11-trienyl]-5-oxo-2H-pyrrol-1-yl]acetic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H37NO6/c1-18(10-6-12-20(3)16-23-25(31)21(4)27(33)34-23)8-5-9-19(2)11-7-13-22-14-15-28(26(22)32)17-24(29)30/h5,8-9,12,14,18,23,31H,6-7,10-11,13,15-17H2,1-4H3,(H,29,30)/b8-5+,19-9+,20-12-/t18-,23-/m1/s1 |
| InChI Key | CZBZSZPLMKKWSY-CNGQNWGCSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C27H37NO6 |
| Molecular Weight | 471.60 g/mol |
| Exact Mass | 471.26208790 g/mol |
| Topological Polar Surface Area (TPSA) | 104.00 Ų |
| XlogP | 5.20 |
| There are no found synonyms. |
![2D Structure of 2-[4-[(4E,6E,8S,11Z)-13-[(2R)-3-hydroxy-4-methyl-5-oxo-2H-furan-2-yl]-4,8,12-trimethyltrideca-4,6,11-trienyl]-5-oxo-2H-pyrrol-1-yl]acetic acid](https://plantaedb.com/storage/docs/compounds/2023/11/47bfd240-8398-11ee-a8e5-912db8524381.jpg "2D Structure of 2-[4-[(4E,6E,8S,11Z)-13-[(2R)-3-hydroxy-4-methyl-5-oxo-2H-furan-2-yl]-4,8,12-trimethyltrideca-4,6,11-trienyl]-5-oxo-2H-pyrrol-1-yl]acetic acid")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.22% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.09% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.54% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.92% | 96.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 92.60% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.85% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.48% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.02% | 99.23% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.75% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.84% | 99.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.66% | 93.56% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.13% | 96.47% |
| CHEMBL4330 | Q9NS75 | Cysteinyl leukotriene receptor 2 | 80.69% | 98.00% |
| CHEMBL5028 | O14672 | ADAM10 | 80.38% | 97.50% |
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 | 54688705 |
| LOTUS | LTS0072187 |
| wikiData | Q104972643 |