(8E,10E,12E,14E,16E,18E,20E,22E,24E)-25-[(4S)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-6,6,10,14,19,23-hexamethylpentacosa-8,10,12,14,16,18,20,22,24-nonaene-2,7-dione
| Internal ID | b3584379-557f-4d27-a056-13e1212e1a5a |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquaterpenoids |
| IUPAC Name | (8E,10E,12E,14E,16E,18E,20E,22E,24E)-25-[(4S)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-6,6,10,14,19,23-hexamethylpentacosa-8,10,12,14,16,18,20,22,24-nonaene-2,7-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C40H56O3/c1-30(18-13-20-32(3)23-25-37-34(5)28-36(42)29-40(37,9)10)16-11-12-17-31(2)19-14-21-33(4)24-26-38(43)39(7,8)27-15-22-35(6)41/h11-14,16-21,23-26,36,42H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t36-/m0/s1 |
| InChI Key | DSSJLYAIYPLGLX-GMKWGACXSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C40H56O3 |
| Molecular Weight | 584.90 g/mol |
| Exact Mass | 584.42294564 g/mol |
| Topological Polar Surface Area (TPSA) | 54.40 Ų |
| XlogP | 10.40 |
| There are no found synonyms. |
![2D Structure of (8E,10E,12E,14E,16E,18E,20E,22E,24E)-25-[(4S)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-6,6,10,14,19,23-hexamethylpentacosa-8,10,12,14,16,18,20,22,24-nonaene-2,7-dione](https://plantaedb.com/storage/docs/compounds/2023/11/e8c703a0-8535-11ee-95d9-076e5ce51cc8.jpg "2D Structure of (8E,10E,12E,14E,16E,18E,20E,22E,24E)-25-[(4S)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-6,6,10,14,19,23-hexamethylpentacosa-8,10,12,14,16,18,20,22,24-nonaene-2,7-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.19% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.55% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.77% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.72% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.74% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.84% | 95.56% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 86.05% | 97.05% |
| CHEMBL1870 | P28702 | Retinoid X receptor beta | 85.98% | 95.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.25% | 96.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.72% | 97.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.19% | 99.17% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.53% | 100.00% |
| CHEMBL2061 | P19793 | Retinoid X receptor alpha | 82.28% | 91.67% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.16% | 93.56% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.88% | 95.50% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 80.78% | 92.97% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 80.57% | 98.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.51% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.49% | 100.00% |
| CHEMBL2004 | P48443 | Retinoid X receptor gamma | 80.29% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.12% | 94.45% |
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.
| Triphasia trifolia |
| PubChem | 163100564 |
| LOTUS | LTS0082798 |
| wikiData | Q104987995 |