Penicilone B
| Internal ID | c31f65a0-a86c-400c-bf7e-c71a782a70f7 |
| Taxonomy | Organoheterocyclic compounds > Azaphilones |
| IUPAC Name | [(7S)-3-(2-hydroxy-6-methylphenyl)-7-methyl-6,8-dioxoisochromen-7-yl] (E)-2,4-dimethyldec-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C29H34O6/c1-6-7-8-9-11-18(2)14-20(4)28(33)35-29(5)25(31)16-21-15-24(34-17-22(21)27(29)32)26-19(3)12-10-13-23(26)30/h10,12-18,30H,6-9,11H2,1-5H3/b20-14+/t18?,29-/m0/s1 |
| InChI Key | DJZXCCZVNHDZCQ-KKVDNXFESA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C29H34O6 |
| Molecular Weight | 478.60 g/mol |
| Exact Mass | 478.23553880 g/mol |
| Topological Polar Surface Area (TPSA) | 89.90 Ų |
| XlogP | 6.60 |
| ((7S)-3-(2-hydroxy-6-methylphenyl)-7-methyl-6,8-dioxoisochromen-7-yl) (E)-2,4-dimethyldec-2-enoate |
| [(7S)-3-(2-hydroxy-6-methylphenyl)-7-methyl-6,8-dioxoisochromen-7-yl] (E)-2,4-dimethyldec-2-enoate |
| RefChem:170949 |
| CHEMBL4214813 |
| SCHEMBL29791444 |
| CHEBI:207061 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 99.26% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.26% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 97.54% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.96% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.92% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.90% | 95.56% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 94.20% | 93.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.01% | 96.09% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 91.59% | 97.29% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.93% | 86.33% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 89.51% | 95.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.51% | 99.23% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 88.22% | 97.79% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 86.98% | 91.38% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 86.83% | 89.63% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.48% | 89.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.54% | 96.00% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 83.33% | 98.03% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.82% | 96.95% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.65% | 100.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.60% | 90.17% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 80.49% | 91.71% |
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.
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| There are no matching plants. |
| PubChem | 132967471 |
| LOTUS | LTS0075693 |
| wikiData | Q104982935 |