Asperolide C
| Internal ID | 38cb44d3-2380-4e08-905e-e94b1905d4aa |
| Taxonomy | Organoheterocyclic compounds > Naphthofurans |
| IUPAC Name | (3aS,5aR,6S,9aS,9bR)-3a-(hydroxymethyl)-6,9a-dimethyl-2-oxo-1,4,5,5a,7,8,9,9b-octahydrobenzo[e][1]benzofuran-6-carboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C16H24O5/c1-14-5-3-6-15(2,13(19)20)10(14)4-7-16(9-17)11(14)8-12(18)21-16/h10-11,17H,3-9H2,1-2H3,(H,19,20)/t10-,11-,14+,15+,16-/m1/s1 |
| InChI Key | QQXUVFDWBIAEDS-AKUOKLNBSA-N |
| Popularity | 6 references in papers |
| Molecular Formula | C16H24O5 |
| Molecular Weight | 296.36 g/mol |
| Exact Mass | 296.16237386 g/mol |
| Topological Polar Surface Area (TPSA) | 83.80 Ų |
| XlogP | 1.80 |
| RefChem:115005 |
| (3aS,5aR,6S,9aS,9bR)-3a-(hydroxymethyl)-6,9a-dimethyl-2-oxo-1,4,5,5a,7,8,9,9b-octahydrobenzo(e)(1)benzofuran-6-carboxylic acid |
| CHEBI:200532 |
| (3aS,5aR,6S,9aS,9bR)-3a-(hydroxymethyl)-6,9a-dimethyl-2-oxo-1,4,5,5a,7,8,9,9b-octahydrobenzo[e][1]benzouran-6-carboxylic acid |
| 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 | 94.74% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.95% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.08% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.98% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.49% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.47% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.46% | 97.09% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 83.36% | 96.38% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 83.23% | 83.82% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 82.74% | 98.03% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.58% | 99.23% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.95% | 93.04% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.60% | 93.00% |
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 | 57331842 |
| LOTUS | LTS0216336 |
| wikiData | Q77279062 |