Disorazole-B1
| Internal ID | 35ef0d91-a71d-4985-af04-b50ed6d535f5 |
| Taxonomy | Organoheterocyclic compounds > Azoles > Oxazoles |
| IUPAC Name | (2Z,4Z,9Z,19Z,21Z,26Z)-12,29-bis[(E)-3-hydroxy-2-methylhex-4-en-2-yl]-7,13,17,24,30,34-hexaoxa-35,36-diazapentacyclo[30.2.1.115,18.06,8.023,25]hexatriaconta-1(35),2,4,9,15,18(36),19,21,26,32-decaene-14,31-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C42H50N2O10/c1-7-15-33(45)41(3,4)35-21-13-19-31-29(51-31)17-9-12-24-38-44-28(26-50-38)40(48)54-36(42(5,6)34(46)16-8-2)22-14-20-32-30(52-32)18-10-11-23-37-43-27(25-49-37)39(47)53-35/h7-20,23-26,29-36,45-46H,21-22H2,1-6H3/b15-7+,16-8+,17-9-,18-10-,19-13-,20-14-,23-11-,24-12- |
| InChI Key | FOQGKCOTKQAXPE-XIIYVMKPSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C42H50N2O10 |
| Molecular Weight | 742.90 g/mol |
| Exact Mass | 742.34654580 g/mol |
| Topological Polar Surface Area (TPSA) | 170.00 Ų |
| XlogP | 7.60 |
| 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 |
|---|---|---|---|---|
| CHEMBL2039 | P27338 | Monoamine oxidase B | 93.03% | 92.51% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.05% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.89% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.83% | 94.73% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 90.42% | 89.63% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.24% | 85.14% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.22% | 97.25% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.25% | 99.23% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.00% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.71% | 95.56% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 86.70% | 100.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.01% | 99.17% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 82.60% | 93.65% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.70% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.75% | 97.09% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.52% | 93.03% |
| CHEMBL4662 | P28074 | Proteasome Macropain subunit MB1 | 80.47% | 93.85% |
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 | 20786764 |
| LOTUS | LTS0176763 |
| wikiData | Q77572723 |