(2E)-2-[(1R,3S,5R,10R,14S)-14-hydroxy-14-methyl-3-[(1E,3E,5E)-2,6,10-trimethylundeca-1,3,5,9-tetraenyl]-4,6-dioxatricyclo[8.4.0.01,5]tetradecan-11-ylidene]propanal
| Internal ID | 561a9cad-0bc5-4ec9-ab02-2f6bcea2f6f5 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesterterpenoids |
| IUPAC Name | (2E)-2-[(1R,3S,5R,10R,14S)-14-hydroxy-14-methyl-3-[(1E,3E,5E)-2,6,10-trimethylundeca-1,3,5,9-tetraenyl]-4,6-dioxatricyclo[8.4.0.01,5]tetradecan-11-ylidene]propanal |
| SMILES (Canonical) | CC(=CCCC(=CC=CC(=CC1CC23C(CCCOC2O1)C(=C(C)C=O)CCC3(C)O)C)C)C |
| SMILES (Isomeric) | CC(=CCC/C(=C/C=C/C(=C/[C@@H]1C[C@]23[C@H](CCCO[C@@H]2O1)/C(=C(\C)/C=O)/CC[C@]3(C)O)/C)/C)C |
| InChI | InChI=1S/C30H44O4/c1-21(2)10-7-11-22(3)12-8-13-23(4)18-25-19-30-27(14-9-17-33-28(30)34-25)26(24(5)20-31)15-16-29(30,6)32/h8,10,12-13,18,20,25,27-28,32H,7,9,11,14-17,19H2,1-6H3/b13-8+,22-12+,23-18+,26-24+/t25-,27-,28-,29+,30+/m1/s1 |
| InChI Key | RPXRCEJKIKHRBO-YBJVGNJESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H44O4 |
| Molecular Weight | 468.70 g/mol |
| Exact Mass | 468.32395988 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 6.10 |
| There are no found synonyms. |
![2D Structure of (2E)-2-[(1R,3S,5R,10R,14S)-14-hydroxy-14-methyl-3-[(1E,3E,5E)-2,6,10-trimethylundeca-1,3,5,9-tetraenyl]-4,6-dioxatricyclo[8.4.0.01,5]tetradecan-11-ylidene]propanal](https://plantaedb.com/storage/docs/compounds/2023/11/76c7bd80-85ea-11ee-ac23-751b8c8425e9.jpg "2D Structure of (2E)-2-[(1R,3S,5R,10R,14S)-14-hydroxy-14-methyl-3-[(1E,3E,5E)-2,6,10-trimethylundeca-1,3,5,9-tetraenyl]-4,6-dioxatricyclo[8.4.0.01,5]tetradecan-11-ylidene]propanal")
| 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 | 98.34% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.00% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.74% | 94.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.72% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.59% | 98.95% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 90.57% | 95.50% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.74% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.25% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.19% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.69% | 89.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.41% | 92.94% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 85.49% | 91.24% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.25% | 95.89% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.62% | 100.00% |
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.
| Baccharis latifolia |
| Iris domestica |
| PubChem | 10742928 |
| LOTUS | LTS0109075 |
| wikiData | Q105168085 |