Pimolin
| Internal ID | e68e50a9-157b-4b68-a5bb-1973334c4e2e |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Chromones > Furanochromones |
| IUPAC Name | (1R,2R,14S,15R)-4,24-dimethoxy-8,15-dimethyl-9,13,16,20-tetraoxaheptacyclo[13.11.0.02,14.03,12.05,10.017,25.019,23]hexacosa-3(12),4,7,10,17(25),18,21,23-octaene-6,26-dione |
| SMILES (Canonical) | CC1=CC(=O)C2=C(C3=C(C=C2O1)OC4C3C5C4(OC6=C(C5=O)C(=C7C=COC7=C6)OC)C)OC |
| SMILES (Isomeric) | CC1=CC(=O)C2=C(C3=C(C=C2O1)O[C@H]4[C@@H]3[C@@H]5[C@]4(OC6=C(C5=O)C(=C7C=COC7=C6)OC)C)OC |
| InChI | InChI=1S/C26H20O8/c1-10-7-12(27)17-14(32-10)9-15-18(24(17)30-4)20-21-22(28)19-16(34-26(21,2)25(20)33-15)8-13-11(5-6-31-13)23(19)29-3/h5-9,20-21,25H,1-4H3/t20-,21-,25-,26+/m0/s1 |
| InChI Key | ULDJWIXKVBYNMQ-KZHJIPFUSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H20O8 |
| Molecular Weight | 460.40 g/mol |
| Exact Mass | 460.11581759 g/mol |
| Topological Polar Surface Area (TPSA) | 93.40 Ų |
| XlogP | 3.30 |
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.33% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.05% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.70% | 89.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.28% | 91.49% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.18% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.96% | 95.56% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 91.04% | 94.03% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.17% | 98.75% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 89.63% | 85.30% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.59% | 94.73% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.92% | 99.23% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 84.84% | 94.42% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.42% | 86.33% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.41% | 97.14% |
| CHEMBL1871 | P10275 | Androgen Receptor | 83.02% | 96.43% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.37% | 96.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.44% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.04% | 95.89% |
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.
| Visnaga daucoides |
| PubChem | 100920750 |
| LOTUS | LTS0187010 |
| wikiData | Q105275034 |