Aspergiolide C
| Internal ID | bc061359-fc7b-42ff-a460-037ca827f408 |
| Taxonomy | Phenylpropanoids and polyketides > Neoflavonoids > Prenylated neoflavonoids |
| IUPAC Name | 2,6',8',12,14-pentahydroxy-3',4-dimethylspiro[6-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),8(17),11,13,15-heptaene-10,2'-naphthalene]-1',7,9,19-tetrone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C29H16O10/c1-8-3-12(31)18-21-19-20-17(24(18)35)14(33)7-15(34)23(20)29(27(37)22(19)28(38)39-25(8)21)9(2)4-10-5-11(30)6-13(32)16(10)26(29)36/h3-7,30-34H,1-2H3 |
| InChI Key | XDESJGLHZNPMTI-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C29H16O10 |
| Molecular Weight | 524.40 g/mol |
| Exact Mass | 524.07434670 g/mol |
| Topological Polar Surface Area (TPSA) | 179.00 Ų |
| XlogP | 3.90 |
| DTXSID101043884 |
| 1234383-29-9 |
| 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 | 98.02% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.14% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.06% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 94.38% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.78% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.56% | 94.73% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.46% | 94.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.29% | 99.15% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 86.24% | 100.00% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 85.51% | 90.93% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 82.19% | 96.21% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 82.16% | 96.67% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 82.11% | 93.65% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 82.09% | 96.12% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.00% | 90.71% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.90% | 93.40% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.74% | 86.33% |
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 | 46846391 |
| LOTUS | LTS0112642 |
| wikiData | Q77517170 |