Austocystin A from aspergillus ustus
| Internal ID | 8f182c3e-6d64-472c-ab01-d033d835edd6 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones |
| IUPAC Name | (4R,8S)-17-chloro-2,18-dimethoxy-7,9,13-trioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),5,11,14(19),15,17-heptaen-20-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H13ClO6/c1-22-17-9(20)3-4-10-14(17)16(21)15-12(25-10)7-11-13(18(15)23-2)8-5-6-24-19(8)26-11/h3-8,19H,1-2H3/t8-,19+/m1/s1 |
| InChI Key | POXKBPUNCDMQMW-YLVJLNSGSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C19H13ClO6 |
| Molecular Weight | 372.80 g/mol |
| Exact Mass | 372.0400658 g/mol |
| Topological Polar Surface Area (TPSA) | 63.20 Ų |
| XlogP | 3.80 |
| AKOS040734748 |
| NCGC00380638-01! |
| (4R,8S)-17-Chloro-2,18-dimethoxy-7,9,13-trioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),5,11,14(19),15,17-heptaen-20-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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.33% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.83% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.87% | 94.00% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 91.20% | 85.94% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.79% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.17% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.13% | 95.56% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 85.80% | 94.03% |
| CHEMBL5957 | P21589 | 5'-nucleotidase | 84.23% | 97.78% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 83.75% | 100.00% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 83.64% | 86.92% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 83.59% | 89.34% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 83.00% | 95.78% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 82.17% | 94.80% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 81.86% | 82.67% |
| CHEMBL3572 | P11597 | Cholesteryl ester transfer protein | 80.99% | 92.67% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.24% | 97.14% |
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 | 57509309 |
| LOTUS | LTS0076112 |
| wikiData | Q105212736 |