6-Epiheteroxanthin
| Internal ID | d58e91cc-00c9-4107-8023-daded11ef25c |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (1S,2R,4S)-1-[(1E,3E,5E,7E,9E,11E,13E,15E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15-octaen-17-ynyl]-2,6,6-trimethylcyclohexane-1,2,4-triol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40(44)38(8,9)27-35(42)28-39(40,10)43/h11-20,23-24,34-35,41-44H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40+/m1/s1 |
| InChI Key | ZEXQVPRPMQVOFT-GHIQLMQGSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C40H56O4 |
| Molecular Weight | 600.90 g/mol |
| Exact Mass | 600.41786026 g/mol |
| Topological Polar Surface Area (TPSA) | 80.90 Ų |
| XlogP | 9.10 |
| 64023-28-5 |
| 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 | 94.14% | 96.09% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 93.13% | 92.97% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 93.01% | 90.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.67% | 91.11% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 90.84% | 94.75% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 88.36% | 97.79% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 88.13% | 90.24% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.09% | 92.94% |
| CHEMBL1870 | P28702 | Retinoid X receptor beta | 84.75% | 95.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.21% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.02% | 100.00% |
| CHEMBL2004 | P48443 | Retinoid X receptor gamma | 83.64% | 100.00% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 83.42% | 95.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.22% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.95% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.83% | 90.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.62% | 89.00% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 80.81% | 97.47% |
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 | 11664389 |
| LOTUS | LTS0083300 |
| wikiData | Q63396481 |