Sartorymensin
| Internal ID | 792d1f14-7e29-402c-ae6a-d113382754e6 |
| Taxonomy | Organoheterocyclic compounds > Pyrroloazepines |
| IUPAC Name | (1S,12S)-1-propan-2-yl-3,13,21,23-tetrazahexacyclo[10.10.2.02,10.04,9.013,22.015,20]tetracosa-2(10),4,6,8,15,17,19,21-octaene-14,24-dione |
| SMILES (Canonical) | CC(C)C12C3=C(CC(C(=O)N1)N4C2=NC5=CC=CC=C5C4=O)C6=CC=CC=C6N3 |
| SMILES (Isomeric) | CC(C)[C@@]12C3=C(C[C@@H](C(=O)N1)N4C2=NC5=CC=CC=C5C4=O)C6=CC=CC=C6N3 |
| InChI | InChI=1S/C23H20N4O2/c1-12(2)23-19-15(13-7-3-5-9-16(13)24-19)11-18(20(28)26-23)27-21(29)14-8-4-6-10-17(14)25-22(23)27/h3-10,12,18,24H,11H2,1-2H3,(H,26,28)/t18-,23-/m0/s1 |
| InChI Key | DYCYVCSFJBWPSL-MBSDFSHPSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H20N4O2 |
| Molecular Weight | 384.40 g/mol |
| Exact Mass | 384.15862589 g/mol |
| Topological Polar Surface Area (TPSA) | 77.60 Ų |
| XlogP | 3.10 |
| 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 | 97.96% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.70% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 95.82% | 99.23% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.88% | 85.14% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 94.65% | 94.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.07% | 95.56% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 91.84% | 88.56% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 91.59% | 98.59% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 89.74% | 92.98% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 88.71% | 91.49% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.21% | 98.75% |
| CHEMBL2959 | Q08881 | Tyrosine-protein kinase ITK/TSK | 87.74% | 95.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.03% | 94.45% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 86.90% | 90.08% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 86.20% | 97.64% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.22% | 89.00% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 84.30% | 94.23% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 84.04% | 90.71% |
| CHEMBL2424504 | P29375 | Lysine-specific demethylase 5A | 84.01% | 99.23% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 83.97% | 92.67% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 83.51% | 98.33% |
| CHEMBL2717 | Q9HCR9 | Phosphodiesterase 11A | 83.44% | 85.00% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 83.39% | 96.39% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.27% | 96.47% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.05% | 94.75% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.69% | 94.00% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 81.89% | 97.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.53% | 97.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.40% | 93.40% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 80.65% | 85.11% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 80.59% | 97.50% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 80.32% | 96.67% |
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.
| Cannabis sativa |
| PubChem | 57407878 |
| LOTUS | LTS0080962 |
| wikiData | Q105241028 |