Spiroapplanatumine D
| Internal ID | 54bbfc07-16e3-402f-adeb-bbdb0f684843 |
| Taxonomy | Organoheterocyclic compounds > Benzofurans |
| IUPAC Name | (2R,5'R)-5-hydroxy-5'-methoxycarbonyl-3-oxospiro[1-benzofuran-2,6'-cycloheptene]-1'-carboxylic acid |
| SMILES (Canonical) | COC(=O)C1CCC=C(CC12C(=O)C3=C(O2)C=CC(=C3)O)C(=O)O |
| SMILES (Isomeric) | COC(=O)[C@@H]1CCC=C(C[C@]12C(=O)C3=C(O2)C=CC(=C3)O)C(=O)O |
| InChI | InChI=1S/C17H16O7/c1-23-16(22)12-4-2-3-9(15(20)21)8-17(12)14(19)11-7-10(18)5-6-13(11)24-17/h3,5-7,12,18H,2,4,8H2,1H3,(H,20,21)/t12-,17+/m0/s1 |
| InChI Key | CRCPKXOHOXZGDW-YVEFUNNKSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C17H16O7 |
| Molecular Weight | 332.30 g/mol |
| Exact Mass | 332.08960285 g/mol |
| Topological Polar Surface Area (TPSA) | 110.00 Ų |
| XlogP | 1.60 |
| 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 | 98.39% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.01% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.54% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 94.31% | 83.82% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.79% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.23% | 90.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.63% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.10% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.90% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.39% | 97.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.27% | 91.19% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.76% | 85.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.04% | 95.89% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 83.69% | 94.08% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.87% | 89.00% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 81.47% | 96.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.35% | 90.71% |
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.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 132962215 |
| LOTUS | LTS0202275 |
| wikiData | Q104968456 |