Penicisulfuranol C
| Internal ID | 222b4a80-a613-413c-9fa4-277231e462b6 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives |
| IUPAC Name | (1R,9R,13R,15S,16R,19R,20S)-15,16,19-trihydroxy-4,5-dimethoxy-24-methyl-2,21-dioxa-10,11,12-trithia-22,24-diazahexacyclo[11.10.2.01,9.03,8.013,22.015,20]pentacosa-3(8),4,6,17-tetraene-23,25-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H22N2O9S3/c1-22-17(26)20-8-19(28)12(25)7-5-10(24)15(19)32-23(20)18(27)21(22)16(33-35-34-20)9-4-6-11(29-2)14(30-3)13(9)31-21/h4-7,10,12,15-16,24-25,28H,8H2,1-3H3/t10-,12-,15+,16-,19+,20-,21+/m1/s1 |
| InChI Key | BFNWYMWIIVLSJC-OFDQUPMBSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C21H22N2O9S3 |
| Molecular Weight | 542.60 g/mol |
| Exact Mass | 542.04874380 g/mol |
| Topological Polar Surface Area (TPSA) | 214.00 Ų |
| XlogP | -0.50 |
| CHEMBL4073777 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.81% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.83% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.42% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.32% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.27% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.42% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.10% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.91% | 99.23% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.60% | 93.99% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.02% | 90.00% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 81.89% | 90.20% |
| CHEMBL3975 | P09467 | Fructose-1,6-bisphosphatase | 80.22% | 92.95% |
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 | 137640950 |
| LOTUS | LTS0128928 |
| wikiData | Q104934594 |