Urceolatin
| Internal ID | 37b4207d-372b-4248-9eb1-b90a8f7f07ba |
| Taxonomy | Benzenoids > Phenanthrenes and derivatives > Phenanthrols |
| IUPAC Name | 10-bromo-4-[(3-bromo-4,5-dihydroxyphenyl)methyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-2,3,11-triol |
| SMILES (Canonical) | C1=CC2=C(C(=C(C3=C2C4=C(O3)C(=C(C=C41)Br)O)O)O)CC5=CC(=C(C(=C5)Br)O)O |
| SMILES (Isomeric) | C1=CC2=C(C(=C(C3=C2C4=C(O3)C(=C(C=C41)Br)O)O)O)CC5=CC(=C(C(=C5)Br)O)O |
| InChI | InChI=1S/C21H12Br2O6/c22-11-4-7(5-13(24)17(11)26)3-10-9-2-1-8-6-12(23)18(27)20-14(8)15(9)21(29-20)19(28)16(10)25/h1-2,4-6,24-28H,3H2 |
| InChI Key | MUCAQKAQNJJHBH-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C21H12Br2O6 |
| Molecular Weight | 520.10 g/mol |
| Exact Mass | 519.89801 g/mol |
| Topological Polar Surface Area (TPSA) | 114.00 Ų |
| XlogP | 5.80 |
| CHEBI:66344 |
| Q27134891 |
| 10-bromo-4-[(3-bromo-4,5-dihydroxyphenyl)methyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-2,3,11-triol |
| 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 | 99.34% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.02% | 94.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.48% | 94.45% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 94.08% | 83.57% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 93.39% | 95.17% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.35% | 91.49% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.51% | 99.15% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 89.30% | 89.34% |
| CHEMBL3959 | P16083 | Quinone reductase 2 | 87.69% | 89.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.56% | 98.95% |
| CHEMBL3194 | P02766 | Transthyretin | 82.45% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.01% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.85% | 99.17% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 81.80% | 85.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.67% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.59% | 95.56% |
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 | 24859515 |
| LOTUS | LTS0205398 |
| wikiData | Q27134891 |