4-Hydroxy-5-methyl-3-(3,7,11-trimethyldodeca-2,6,10-trienyl)chromen-2-one
| Internal ID | c572b975-344e-42b9-9bf4-dc2fa52bc284 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | 4-hydroxy-5-methyl-3-(3,7,11-trimethyldodeca-2,6,10-trienyl)chromen-2-one |
| SMILES (Canonical) | CC1=C2C(=CC=C1)OC(=O)C(=C2O)CC=C(C)CCC=C(C)CCC=C(C)C |
| SMILES (Isomeric) | CC1=C2C(=CC=C1)OC(=O)C(=C2O)CC=C(C)CCC=C(C)CCC=C(C)C |
| InChI | InChI=1S/C25H32O3/c1-17(2)9-6-10-18(3)11-7-12-19(4)15-16-21-24(26)23-20(5)13-8-14-22(23)28-25(21)27/h8-9,11,13-15,26H,6-7,10,12,16H2,1-5H3 |
| InChI Key | ZIVOEWOQKWIJDL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H32O3 |
| Molecular Weight | 380.50 g/mol |
| Exact Mass | 380.23514488 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 7.30 |
| 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 |
|---|---|---|---|---|
| CHEMBL3401 | O75469 | Pregnane X receptor | 98.59% | 94.73% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.07% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.38% | 98.95% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 93.83% | 92.08% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.36% | 95.56% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 90.33% | 89.34% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.30% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.22% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.03% | 99.23% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 87.28% | 97.21% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.09% | 94.45% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.90% | 96.95% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 83.78% | 93.65% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.14% | 94.00% |
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.
| Mutisia spinosa |
| Nassauvia digitata |
| PubChem | 163039241 |
| LOTUS | LTS0175828 |
| wikiData | Q105377559 |