1-[(2R)-5,7-dihydroxy-2-methyl-2-(4-methylpent-3-enyl)-3,4-dihydrochromen-8-yl]-2-methylpropan-1-one
| Internal ID | 7b0d7be1-d739-492a-8be9-98e4a8fe9361 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans |
| IUPAC Name | 1-[(2R)-5,7-dihydroxy-2-methyl-2-(4-methylpent-3-enyl)-3,4-dihydrochromen-8-yl]-2-methylpropan-1-one |
| SMILES (Canonical) | CC(C)C(=O)C1=C(C=C(C2=C1OC(CC2)(C)CCC=C(C)C)O)O |
| SMILES (Isomeric) | CC(C)C(=O)C1=C(C=C(C2=C1O[C@](CC2)(C)CCC=C(C)C)O)O |
| InChI | InChI=1S/C20H28O4/c1-12(2)7-6-9-20(5)10-8-14-15(21)11-16(22)17(19(14)24-20)18(23)13(3)4/h7,11,13,21-22H,6,8-10H2,1-5H3/t20-/m1/s1 |
| InChI Key | YVSXEXZLBOZKPE-HXUWFJFHSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H28O4 |
| Molecular Weight | 332.40 g/mol |
| Exact Mass | 332.19875937 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 5.40 |
| There are no found synonyms. |
![2D Structure of 1-[(2R)-5,7-dihydroxy-2-methyl-2-(4-methylpent-3-enyl)-3,4-dihydrochromen-8-yl]-2-methylpropan-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/1-2r-57-dihydroxy-2-methyl-2-4-methylpent-3-enyl-34-dihydrochromen-8-yl-2-methylpropan-1-one.jpg "2D Structure of 1-[(2R)-5,7-dihydroxy-2-methyl-2-(4-methylpent-3-enyl)-3,4-dihydrochromen-8-yl]-2-methylpropan-1-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 | 99.81% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.57% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.57% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.48% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.48% | 94.73% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 87.80% | 85.30% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.43% | 90.71% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 86.92% | 91.24% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.33% | 89.00% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 84.23% | 98.75% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.70% | 90.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.56% | 92.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.24% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.83% | 86.33% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.36% | 89.50% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.57% | 93.40% |
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.
| Hypericum jovis |
| PubChem | 163066253 |
| LOTUS | LTS0064564 |
| wikiData | Q105365942 |