2-(4,8-Dimethyl-6-oxonon-3-enyl)-5-hydroxy-2,7-dimethylchromene-6-carboxylic acid
| Internal ID | f753f6ba-5561-4350-8652-c8f17528cc2e |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Salicylic acid and derivatives |
| IUPAC Name | 2-(4,8-dimethyl-6-oxonon-3-enyl)-5-hydroxy-2,7-dimethylchromene-6-carboxylic acid |
| SMILES (Canonical) | CC1=CC2=C(C=CC(O2)(C)CCC=C(C)CC(=O)CC(C)C)C(=C1C(=O)O)O |
| SMILES (Isomeric) | CC1=CC2=C(C=CC(O2)(C)CCC=C(C)CC(=O)CC(C)C)C(=C1C(=O)O)O |
| InChI | InChI=1S/C23H30O5/c1-14(2)11-17(24)12-15(3)7-6-9-23(5)10-8-18-19(28-23)13-16(4)20(21(18)25)22(26)27/h7-8,10,13-14,25H,6,9,11-12H2,1-5H3,(H,26,27) |
| InChI Key | JWCJVZVWTGSSPQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H30O5 |
| Molecular Weight | 386.50 g/mol |
| Exact Mass | 386.20932405 g/mol |
| Topological Polar Surface Area (TPSA) | 83.80 Ų |
| XlogP | 5.40 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.91% | 91.11% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 98.06% | 83.57% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 97.17% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.86% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.52% | 98.95% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.45% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.02% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.55% | 85.14% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.93% | 96.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.01% | 95.56% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.86% | 93.56% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 86.24% | 89.34% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 85.66% | 97.21% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.19% | 99.17% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.89% | 99.15% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.05% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.93% | 96.09% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.81% | 96.47% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.81% | 89.50% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.53% | 95.50% |
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 | 75238898 |
| LOTUS | LTS0128652 |
| wikiData | Q105136078 |