(4aR,5R)-2-methoxy-3,4a,6,8-tetramethyl-5-[(E)-5-methylhex-2-en-2-yl]-5H-chromen-4-one
| Internal ID | 70dbb4cf-c560-45e9-9c68-afe68137cb50 |
| Taxonomy | Organoheterocyclic compounds > Pyrans > Pyranones and derivatives > Dihydropyranones |
| IUPAC Name | (4aR,5R)-2-methoxy-3,4a,6,8-tetramethyl-5-[(E)-5-methylhex-2-en-2-yl]-5H-chromen-4-one |
| SMILES (Canonical) | CC1=CC(=C2C(C1C(=CCC(C)C)C)(C(=O)C(=C(O2)OC)C)C)C |
| SMILES (Isomeric) | CC1=CC(=C2[C@@]([C@@H]1/C(=C/CC(C)C)/C)(C(=O)C(=C(O2)OC)C)C)C |
| InChI | InChI=1S/C21H30O3/c1-12(2)9-10-13(3)17-14(4)11-15(5)19-21(17,7)18(22)16(6)20(23-8)24-19/h10-12,17H,9H2,1-8H3/b13-10+/t17-,21+/m1/s1 |
| InChI Key | UMFWYZXEPVEAHJ-HSELXKBCSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C21H30O3 |
| Molecular Weight | 330.50 g/mol |
| Exact Mass | 330.21949481 g/mol |
| Topological Polar Surface Area (TPSA) | 35.50 Ų |
| XlogP | 4.70 |
| RefChem:933372 |
| (4aR,5R)-2-methoxy-3,4a,6,8-tetramethyl-5-((Z)-5-methylhex-2-en-2-yl)-5H-chromen-4-one |
| (4aS,5R)-2-methoxy-3,4a,6,8-tetramethyl-5-((E)-5-methylhex-2-en-2-yl)-5H-chromen-4-one |
![2D Structure of (4aR,5R)-2-methoxy-3,4a,6,8-tetramethyl-5-[(E)-5-methylhex-2-en-2-yl]-5H-chromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/4ar5r-2-methoxy-34a68-tetramethyl-5-e-5-methylhex-2-en-2-yl-5h-chromen-4-one.jpg "2D Structure of (4aR,5R)-2-methoxy-3,4a,6,8-tetramethyl-5-[(E)-5-methylhex-2-en-2-yl]-5H-chromen-4-one")
| 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 | 97.73% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.27% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.75% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.11% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.35% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.90% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.31% | 94.73% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.58% | 99.23% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.54% | 97.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.40% | 89.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.35% | 90.00% |
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.
| There are no matching plants. |
| PubChem | 11198307 |
| LOTUS | LTS0084043 |
| wikiData | Q105275532 |