Cephalanone A
| Internal ID | 3dd6f247-9eac-4608-9b30-91f1186c21e9 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzophenones |
| IUPAC Name | (2R)-4-[3-(3-chloro-6-hydroxy-2-methoxy-4-methylbenzoyl)-2-formylphenoxy]-2-methylbut-3-enoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H19ClO7/c1-11(21(26)27)7-8-29-16-6-4-5-13(14(16)10-23)19(25)17-15(24)9-12(2)18(22)20(17)28-3/h4-11,24H,1-3H3,(H,26,27)/t11-/m1/s1 |
| InChI Key | GAZYEUATOWFTEU-LLVKDONJSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C21H19ClO7 |
| Molecular Weight | 418.80 g/mol |
| Exact Mass | 418.0819306 g/mol |
| Topological Polar Surface Area (TPSA) | 110.00 Ų |
| XlogP | 4.20 |
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 98.24% | 95.56% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 95.78% | 95.50% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 95.54% | 93.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 94.55% | 99.15% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.63% | 94.45% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 92.06% | 98.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.72% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.65% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 91.38% | 96.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.15% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.14% | 94.73% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.93% | 91.11% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.45% | 98.75% |
| CHEMBL3194 | P02766 | Transthyretin | 85.48% | 90.71% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.52% | 89.62% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.04% | 97.14% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 83.94% | 100.00% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 83.56% | 98.75% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.63% | 91.19% |
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.
| There are no matching plants. |
| PubChem | 139584500 |
| LOTUS | LTS0210807 |
| wikiData | Q77370480 |