(2S)-7-hydroxy-2,5-dimethyl-2-(4-methylpent-3-enyl)chromene-6-carboxylic acid
| Internal ID | 663517df-c917-4024-bd5f-f5080f4e19c9 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Salicylic acid and derivatives |
| IUPAC Name | (2S)-7-hydroxy-2,5-dimethyl-2-(4-methylpent-3-enyl)chromene-6-carboxylic acid |
| SMILES (Canonical) | CC1=C(C(=CC2=C1C=CC(O2)(C)CCC=C(C)C)O)C(=O)O |
| SMILES (Isomeric) | CC1=C(C(=CC2=C1C=C[C@](O2)(C)CCC=C(C)C)O)C(=O)O |
| InChI | InChI=1S/C18H22O4/c1-11(2)6-5-8-18(4)9-7-13-12(3)16(17(20)21)14(19)10-15(13)22-18/h6-7,9-10,19H,5,8H2,1-4H3,(H,20,21)/t18-/m0/s1 |
| InChI Key | PKWSKCFMABZMMV-SFHVURJKSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H22O4 |
| Molecular Weight | 302.40 g/mol |
| Exact Mass | 302.15180918 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 4.90 |
| 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 | 98.06% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.61% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.60% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.81% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.90% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.63% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.77% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.12% | 96.09% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 84.16% | 85.30% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 83.78% | 83.57% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.08% | 96.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.06% | 99.15% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.85% | 86.33% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.81% | 93.56% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.24% | 95.50% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.82% | 90.71% |
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 | 54753489 |
| LOTUS | LTS0211222 |
| wikiData | Q105210722 |