6-[6-(2-Carboxyethyl)-3a,5a,7,10b-tetramethyl-1,2,3,4,5,6,10,10a-octahydroindeno[5,4-f][1]benzofuran-3-yl]-2-methylhepta-2,4-dienoic acid
| Internal ID | 9dc0474f-1dac-4822-8f36-848466cd0bed |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | 6-[6-(2-carboxyethyl)-3a,5a,7,10b-tetramethyl-1,2,3,4,5,6,10,10a-octahydroindeno[5,4-f][1]benzofuran-3-yl]-2-methylhepta-2,4-dienoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H42O5/c1-18(8-7-9-19(2)27(33)34)21-12-13-30(6)24-16-23-26(20(3)17-35-23)22(10-11-25(31)32)28(24,4)14-15-29(21,30)5/h7-9,17-18,21-22,24H,10-16H2,1-6H3,(H,31,32)(H,33,34) |
| InChI Key | BYCQKBKQTQNKMP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H42O5 |
| Molecular Weight | 482.60 g/mol |
| Exact Mass | 482.30322444 g/mol |
| Topological Polar Surface Area (TPSA) | 87.70 Ų |
| XlogP | 7.10 |
| There are no found synonyms. |
![2D Structure of 6-[6-(2-Carboxyethyl)-3a,5a,7,10b-tetramethyl-1,2,3,4,5,6,10,10a-octahydroindeno[5,4-f][1]benzofuran-3-yl]-2-methylhepta-2,4-dienoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/dfc26000-85da-11ee-834b-3b983b48a0a5.jpg "2D Structure of 6-[6-(2-Carboxyethyl)-3a,5a,7,10b-tetramethyl-1,2,3,4,5,6,10,10a-octahydroindeno[5,4-f][1]benzofuran-3-yl]-2-methylhepta-2,4-dienoic 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.56% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.91% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.07% | 94.45% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 90.24% | 93.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.79% | 95.56% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 88.95% | 93.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.32% | 90.17% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 88.10% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.43% | 97.09% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 86.52% | 96.38% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.84% | 96.09% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 83.21% | 98.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.13% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.53% | 99.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.82% | 97.25% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.37% | 96.47% |
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 | 163056832 |
| LOTUS | LTS0051688 |
| wikiData | Q103817123 |