Spiroapplanatumine B
| Internal ID | 36f91f6c-3e2a-4e00-a505-11df98421c49 |
| Taxonomy | Organoheterocyclic compounds > Benzofurans |
| IUPAC Name | (1'R,2R)-5-hydroxy-3-oxospiro[1-benzofuran-2,2'-cyclohept-4-ene]-1',4'-dicarboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C16H14O7/c17-9-4-5-12-10(6-9)13(18)16(23-12)7-8(14(19)20)2-1-3-11(16)15(21)22/h2,4-6,11,17H,1,3,7H2,(H,19,20)(H,21,22)/t11-,16+/m0/s1 |
| InChI Key | HNBGJFRBRDXXKU-MEDUHNTESA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C16H14O7 |
| Molecular Weight | 318.28 g/mol |
| Exact Mass | 318.07395278 g/mol |
| Topological Polar Surface Area (TPSA) | 121.00 Ų |
| XlogP | 1.30 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.98% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.84% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.32% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 91.28% | 90.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.43% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.12% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.08% | 99.23% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 83.96% | 90.93% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.22% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.09% | 86.33% |
| CHEMBL3194 | P02766 | Transthyretin | 82.94% | 90.71% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 82.37% | 93.04% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.21% | 90.71% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 81.10% | 94.08% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.72% | 94.45% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 80.41% | 89.67% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 80.26% | 96.09% |
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 | 132962213 |
| LOTUS | LTS0131970 |
| wikiData | Q105030788 |