(E)-9-[(2S)-5-hydroxy-2,7-dimethylchromen-2-yl]-2,6-dimethylnon-6-en-4-one
| Internal ID | ccf8f950-a2cd-4152-948a-834a8e7894f7 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans |
| IUPAC Name | (E)-9-[(2S)-5-hydroxy-2,7-dimethylchromen-2-yl]-2,6-dimethylnon-6-en-4-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H30O3/c1-15(2)11-18(23)12-16(3)7-6-9-22(5)10-8-19-20(24)13-17(4)14-21(19)25-22/h7-8,10,13-15,24H,6,9,11-12H2,1-5H3/b16-7+/t22-/m0/s1 |
| InChI Key | VUVNQZRURYVICD-RWHUQTJRSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C22H30O3 |
| Molecular Weight | 342.50 g/mol |
| Exact Mass | 342.21949481 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 5.30 |
| There are no found synonyms. |
![2D Structure of (E)-9-[(2S)-5-hydroxy-2,7-dimethylchromen-2-yl]-2,6-dimethylnon-6-en-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/e-9-2s-5-hydroxy-27-dimethylchromen-2-yl-26-dimethylnon-6-en-4-one.jpg "2D Structure of (E)-9-[(2S)-5-hydroxy-2,7-dimethylchromen-2-yl]-2,6-dimethylnon-6-en-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 | 99.02% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 96.98% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.13% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.86% | 98.95% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 92.19% | 90.71% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.37% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.04% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.72% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.94% | 95.56% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 88.78% | 94.80% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.11% | 99.17% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 85.81% | 85.30% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 82.15% | 83.57% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.08% | 90.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.05% | 96.95% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.83% | 93.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.79% | 99.15% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.43% | 91.19% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.35% | 89.50% |
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.
| Rhododendron anthopogon |
| PubChem | 46872574 |
| LOTUS | LTS0106422 |
| wikiData | Q105297470 |