Thiopleurotinic acid B
| Internal ID | cf87ae19-1f2e-42e9-bf18-761bc8b3780e |
| Taxonomy | Benzenoids > Anthracenes > Anthracenecarboxylic acids and derivatives > Anthracenecarboxylic acids |
| IUPAC Name | (1R,2S,5R,6S,14S,17S,18S)-10-[(2R)-2-acetamido-2-carboxyethyl]sulfanyl-17-methyl-9,12-dioxo-15-oxapentacyclo[12.6.0.01,6.02,18.08,13]icosa-8(13),10-diene-5-carboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H31NO8S/c1-11-9-35-23-21-15(7-17-14(24(31)32)3-4-16-13(11)5-6-26(16,17)23)22(30)20(8-19(21)29)36-10-18(25(33)34)27-12(2)28/h8,11,13-14,16-18,23H,3-7,9-10H2,1-2H3,(H,27,28)(H,31,32)(H,33,34)/t11-,13-,14-,16+,17+,18+,23-,26-/m1/s1 |
| InChI Key | CELGBPNSVHKPLO-XDYVMVOUSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C26H31NO8S |
| Molecular Weight | 517.60 g/mol |
| Exact Mass | 517.17703812 g/mol |
| Topological Polar Surface Area (TPSA) | 172.00 Ų |
| XlogP | 1.80 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 99.07% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 95.90% | 90.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.68% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.82% | 85.14% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 94.25% | 95.93% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.80% | 96.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 92.66% | 93.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.92% | 97.25% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 91.20% | 91.19% |
| CHEMBL4072 | P07858 | Cathepsin B | 89.76% | 93.67% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 89.53% | 97.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.88% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.02% | 97.09% |
| CHEMBL5028 | O14672 | ADAM10 | 86.34% | 97.50% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.97% | 90.71% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 85.42% | 95.38% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 85.39% | 97.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.86% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.58% | 95.56% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 82.62% | 93.04% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.67% | 99.17% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.09% | 100.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.65% | 94.33% |
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 | 139589893 |
| LOTUS | LTS0090518 |
| wikiData | Q104955811 |