Disorazole H
| Internal ID | 1e05fb08-6953-4e60-9e79-7302962569da |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Dicarboxylic acids and derivatives |
| IUPAC Name | (12E,14Z,24Z,26Z)-4,22-bis[(E)-3-hydroxy-2-methylhex-4-en-2-yl]-30-methoxy-3,7,10,17,21,33-hexaoxa-35,36-diazapentacyclo[30.2.1.116,19.06,8.09,11]hexatriaconta-1(34),12,14,16(36),18,24,26,28,32(35)-nonaene-2,20-dione |
| SMILES (Canonical) | CC=CC(C(C)(C)C1CC=CC=CC=CC(CC2=NC(=CO2)C(=O)OC(CC3C(O3)C4C(O4)C=CC=CC5=NC(=CO5)C(=O)O1)C(C)(C)C(C=CC)O)OC)O |
| SMILES (Isomeric) | C/C=C/C(C(C)(C)C1C/C=C\C=C/C=CC(CC2=NC(=CO2)C(=O)OC(CC3C(O3)C4C(O4)/C=C/C=C\C5=NC(=CO5)C(=O)O1)C(C)(C)C(/C=C/C)O)OC)O |
| InChI | InChI=1S/C43H54N2O11/c1-8-17-32(46)42(3,4)34-21-14-12-10-11-13-19-27(50-7)23-37-45-29(26-52-37)41(49)56-35(43(5,6)33(47)18-9-2)24-31-39(54-31)38-30(53-38)20-15-16-22-36-44-28(25-51-36)40(48)55-34/h8-20,22,25-27,30-35,38-39,46-47H,21,23-24H2,1-7H3/b11-10-,14-12-,17-8+,18-9+,19-13?,20-15+,22-16- |
| InChI Key | QBKIVBASHDDBID-CLXWHGGYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C43H54N2O11 |
| Molecular Weight | 774.90 g/mol |
| Exact Mass | 774.37276054 g/mol |
| Topological Polar Surface Area (TPSA) | 179.00 Ų |
| XlogP | 7.50 |
| 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 |
|---|---|---|---|---|
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.60% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.02% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.96% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.59% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.26% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.60% | 96.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.23% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.92% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.16% | 97.25% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 87.06% | 100.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.79% | 92.62% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.63% | 99.17% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 85.13% | 97.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.94% | 97.09% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.17% | 97.14% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.75% | 93.03% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.76% | 98.95% |
| CHEMBL4662 | P28074 | Proteasome Macropain subunit MB1 | 82.52% | 93.85% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 81.28% | 89.63% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 80.99% | 92.29% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 80.96% | 98.05% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.79% | 99.23% |
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 | 139586839 |
| LOTUS | LTS0177988 |
| wikiData | Q77515683 |