(-)-applanatumol R
| Internal ID | ebfc3bce-e951-40df-853e-6959597cefb7 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Phenylketones > Alkyl-phenylketones |
| IUPAC Name | (2S,5S)-2-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-5-(1-hydroxypropan-2-yl)oxolane-2-carboxylic acid |
| SMILES (Canonical) | CC(CO)C1CCC(O1)(CC(=O)C2=C(C=CC(=C2)O)O)C(=O)O |
| SMILES (Isomeric) | CC(CO)[C@@H]1CC[C@](O1)(CC(=O)C2=C(C=CC(=C2)O)O)C(=O)O |
| InChI | InChI=1S/C16H20O7/c1-9(8-17)14-4-5-16(23-14,15(21)22)7-13(20)11-6-10(18)2-3-12(11)19/h2-3,6,9,14,17-19H,4-5,7-8H2,1H3,(H,21,22)/t9?,14-,16-/m0/s1 |
| InChI Key | VOBDLFOMWLMXRY-NTFNSIDBSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H20O7 |
| Molecular Weight | 324.32 g/mol |
| Exact Mass | 324.12090297 g/mol |
| Topological Polar Surface Area (TPSA) | 124.00 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 | 97.14% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.24% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.64% | 98.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.24% | 99.15% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.17% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.11% | 90.71% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.66% | 91.19% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.76% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.09% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.67% | 97.09% |
| CHEMBL236 | P41143 | Delta opioid receptor | 84.18% | 99.35% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 82.05% | 94.62% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.88% | 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.
| There are no matching plants. |
| PubChem | 139586707 |
| LOTUS | LTS0062952 |
| wikiData | Q77512704 |