Gymnoascolide B
| Internal ID | e232e292-028f-499d-bfec-207b5a08145e |
| Taxonomy | Organoheterocyclic compounds > Dihydrofurans > Furanones > Butenolides |
| IUPAC Name | (2R)-3-[hydroxy(phenyl)methyl]-2-methoxy-4-phenyl-2H-furan-5-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H16O4/c1-21-18-15(16(19)13-10-6-3-7-11-13)14(17(20)22-18)12-8-4-2-5-9-12/h2-11,16,18-19H,1H3/t16?,18-/m1/s1 |
| InChI Key | MNJDDTIBFQZPQZ-UHUGOGIASA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C18H16O4 |
| Molecular Weight | 296.30 g/mol |
| Exact Mass | 296.10485899 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 2.20 |
| CHEMBL470240 |
| (2R)-3-[hydroxy(phenyl)methyl]-2-methoxy-4-phenyl-2H-furan-5-one |
| 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 |
|---|---|---|---|---|
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 93.06% | 90.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.95% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.02% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.98% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.48% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.77% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.47% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.67% | 99.23% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 85.66% | 94.08% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.21% | 95.50% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 81.72% | 83.00% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 81.43% | 94.62% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 80.01% | 94.23% |
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.
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| There are no matching plants. |
| PubChem | 11680925 |
| LOTUS | LTS0194658 |
| wikiData | Q75067073 |