Sclerotiotide B
| Internal ID | b2a512fc-17b1-4d67-875a-a8b33f963aa4 |
| Taxonomy | Phenylpropanoids and polyketides > Macrolactams |
| IUPAC Name | (2E,4E)-N-[(3S,6S,9S)-3,4,7-trimethyl-2,5,8-trioxo-6-propan-2-yl-1,4,7-triazacyclododec-9-yl]hexa-2,4-dienamide |
| SMILES (Canonical) | CC=CC=CC(=O)NC1CCCNC(=O)C(N(C(=O)C(N(C1=O)C)C(C)C)C)C |
| SMILES (Isomeric) | C/C=C/C=C/C(=O)N[C@H]1CCCNC(=O)[C@@H](N(C(=O)[C@@H](N(C1=O)C)C(C)C)C)C |
| InChI | InChI=1S/C21H34N4O4/c1-7-8-9-12-17(26)23-16-11-10-13-22-19(27)15(4)24(5)21(29)18(14(2)3)25(6)20(16)28/h7-9,12,14-16,18H,10-11,13H2,1-6H3,(H,22,27)(H,23,26)/b8-7+,12-9+/t15-,16-,18-/m0/s1 |
| InChI Key | YDMIIJJQQVACFZ-DHHXFONYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C21H34N4O4 |
| Molecular Weight | 406.50 g/mol |
| Exact Mass | 406.25800558 g/mol |
| Topological Polar Surface Area (TPSA) | 98.80 Ų |
| XlogP | 1.70 |
| CHEMBL1164384 |
| 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 | 97.26% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.56% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.62% | 97.25% |
| CHEMBL4072 | P07858 | Cathepsin B | 92.72% | 93.67% |
| CHEMBL1907598 | P05106 | Integrin alpha-V/beta-3 | 92.45% | 95.71% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 91.35% | 91.03% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 89.08% | 93.03% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.64% | 90.71% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 88.13% | 90.08% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.99% | 89.00% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 85.80% | 95.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.60% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.53% | 97.09% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 84.96% | 90.24% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.80% | 90.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.37% | 93.00% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 83.88% | 92.97% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.84% | 94.75% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 83.84% | 94.66% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.72% | 96.47% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.41% | 91.11% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 83.17% | 92.12% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.83% | 94.45% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 81.92% | 89.34% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.27% | 93.56% |
| CHEMBL1075317 | P61964 | WD repeat-containing protein 5 | 80.13% | 96.33% |
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 | 46849844 |
| LOTUS | LTS0130112 |
| wikiData | Q77378996 |