6-hydroxy-3-[2-[(2R)-6-hydroxy-2-methylchromen-2-yl]ethyl]-2,4-dimethylbenzaldehyde
| Internal ID | 07cdd33d-9093-4f3a-bcfa-826fe4ac77ea |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | 6-hydroxy-3-[2-[(2R)-6-hydroxy-2-methylchromen-2-yl]ethyl]-2,4-dimethylbenzaldehyde |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H22O4/c1-13-10-19(24)18(12-22)14(2)17(13)7-9-21(3)8-6-15-11-16(23)4-5-20(15)25-21/h4-6,8,10-12,23-24H,7,9H2,1-3H3/t21-/m0/s1 |
| InChI Key | HXHCCUWOGMBIRD-NRFANRHFSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C21H22O4 |
| Molecular Weight | 338.40 g/mol |
| Exact Mass | 338.15180918 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 4.80 |
| There are no found synonyms. |
![2D Structure of 6-hydroxy-3-[2-[(2R)-6-hydroxy-2-methylchromen-2-yl]ethyl]-2,4-dimethylbenzaldehyde](https://plantaedb.com/storage/docs/compounds/2023/11/6-hydroxy-3-2-2r-6-hydroxy-2-methylchromen-2-ylethyl-24-dimethylbenzaldehyde.jpg "2D Structure of 6-hydroxy-3-[2-[(2R)-6-hydroxy-2-methylchromen-2-yl]ethyl]-2,4-dimethylbenzaldehyde")
| 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 | 96.82% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.56% | 95.56% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 94.87% | 83.57% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.95% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.52% | 94.73% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 92.07% | 98.11% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 91.55% | 93.40% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.21% | 98.95% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 86.57% | 94.80% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.91% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.19% | 90.00% |
| CHEMBL3194 | P02766 | Transthyretin | 83.46% | 90.71% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 82.81% | 91.38% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.43% | 96.09% |
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.
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| There are no matching plants. |
| PubChem | 163186563 |
| LOTUS | LTS0205441 |
| wikiData | Q105035003 |