Roquefortine D
| Internal ID | 7f99e791-6f2b-4581-ba72-fff31c73201c |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyrroloindoles |
| IUPAC Name | 4-(1H-imidazol-5-ylmethyl)-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H25N5O2/c1-4-21(2,3)22-10-17-18(28)25-16(9-13-11-23-12-24-13)19(29)27(17)20(22)26-15-8-6-5-7-14(15)22/h4-8,11-12,16-17,20,26H,1,9-10H2,2-3H3,(H,23,24)(H,25,28) |
| InChI Key | IQVNREJWRXOHEO-UHFFFAOYSA-N |
| Popularity | 7 references in papers |
| Molecular Formula | C22H25N5O2 |
| Molecular Weight | 391.50 g/mol |
| Exact Mass | 391.20082506 g/mol |
| Topological Polar Surface Area (TPSA) | 90.10 Ų |
| XlogP | 2.90 |
| MEGxm0_000337 |
| ACon1_001592 |
| DTXSID40894026 |
| NCGC00180346-02 |
| C22163 |
| BRD-A75055874-001-01-2 |
| (3S,5aS,10bR,11aS)-3-(1H-Imidazol-5-ylmethyl)-10b-(2-methyl-3-buten-2-yl)-6,10b,11,11a-tetrahydro-2H-pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4(3H,5aH)-dione |
| 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 | 97.12% | 96.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 96.35% | 94.75% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 95.55% | 92.97% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.09% | 98.95% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 92.50% | 97.64% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 92.02% | 93.40% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.68% | 97.25% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.54% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.53% | 95.56% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 90.46% | 88.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.19% | 86.33% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 89.61% | 90.08% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.50% | 91.11% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 89.49% | 93.03% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 88.46% | 96.39% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.13% | 99.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.07% | 94.45% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 83.88% | 91.38% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 83.86% | 97.05% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 82.90% | 98.59% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 81.90% | 94.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.01% | 97.09% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 80.30% | 97.33% |
| CHEMBL3869 | P50281 | Matrix metalloproteinase 14 | 80.25% | 93.10% |
| CHEMBL5028 | O14672 | ADAM10 | 80.08% | 97.50% |
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 | 15386782 |
| LOTUS | LTS0133401 |
| wikiData | Q77493973 |