Gombapyrone F
| Internal ID | 1198ecc2-e79e-4f9d-8773-e1cf0c3689c6 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Styrenes |
| IUPAC Name | 6-[(2E,4E,6E,8Z)-9-[2-(1-hydroxyprop-2-enyl)-4-methylphenyl]-3-methylnona-2,4,6,8-tetraenyl]-4-methoxy-3,5-dimethylpyran-2-one |
| SMILES (Canonical) | CC1=CC(=C(C=C1)C=CC=CC=CC(=CCC2=C(C(=C(C(=O)O2)C)OC)C)C)C(C=C)O |
| SMILES (Isomeric) | CC1=CC(=C(C=C1)/C=C\C=C\C=C\C(=C\CC2=C(C(=C(C(=O)O2)C)OC)C)\C)C(C=C)O |
| InChI | InChI=1S/C28H32O4/c1-7-25(29)24-18-20(3)14-16-23(24)13-11-9-8-10-12-19(2)15-17-26-21(4)27(31-6)22(5)28(30)32-26/h7-16,18,25,29H,1,17H2,2-6H3/b9-8+,12-10+,13-11-,19-15+ |
| InChI Key | TVPGQJSFVJOUJO-QGLGQXQNSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H32O4 |
| Molecular Weight | 432.50 g/mol |
| Exact Mass | 432.23005950 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 6.20 |
| There are no found synonyms. |
| 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 | 98.27% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.20% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.47% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.44% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.55% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.37% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 92.25% | 96.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.47% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.37% | 94.45% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 88.68% | 92.51% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.30% | 99.17% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.75% | 97.21% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.31% | 94.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 80.20% | 89.34% |
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 | 139588153 |
| LOTUS | LTS0208674 |
| wikiData | Q105265457 |