8-Hydroxy-3-(12-phenyldodecyl)isochromen-1-one
| Internal ID | 57bc476f-8db4-4996-87ea-1221c31215be |
| Taxonomy | Phenylpropanoids and polyketides > Isocoumarins and derivatives |
| IUPAC Name | 8-hydroxy-3-(12-phenyldodecyl)isochromen-1-one |
| SMILES (Canonical) | C1=CC=C(C=C1)CCCCCCCCCCCCC2=CC3=C(C(=CC=C3)O)C(=O)O2 |
| SMILES (Isomeric) | C1=CC=C(C=C1)CCCCCCCCCCCCC2=CC3=C(C(=CC=C3)O)C(=O)O2 |
| InChI | InChI=1S/C27H34O3/c28-25-20-14-18-23-21-24(30-27(29)26(23)25)19-13-8-6-4-2-1-3-5-7-10-15-22-16-11-9-12-17-22/h9,11-12,14,16-18,20-21,28H,1-8,10,13,15,19H2 |
| InChI Key | OROKBQHVNUEULK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H34O3 |
| Molecular Weight | 406.60 g/mol |
| Exact Mass | 406.25079494 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 9.60 |
| 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 | 98.02% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.28% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.66% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.03% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.95% | 95.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 90.93% | 93.99% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 88.40% | 92.08% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 87.54% | 94.62% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.32% | 99.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.52% | 94.00% |
| CHEMBL240 | Q12809 | HERG | 85.52% | 89.76% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.69% | 95.50% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 84.50% | 90.20% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.86% | 96.95% |
| CHEMBL3891 | P07384 | Calpain 1 | 82.66% | 93.04% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 81.26% | 91.49% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.20% | 99.23% |
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.
| Knema furfuracea |
| PubChem | 14655086 |
| LOTUS | LTS0123345 |
| wikiData | Q105198104 |