Phomaketide B
| Internal ID | 2c872342-f757-482d-b949-c44b3b57617a |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Secondary alcohols > Cyclohexanols |
| IUPAC Name | [(1S,2R,3R,4S)-4-(chloromethyl)-4-hydroxy-2-methoxy-3-[(2R,3S)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]cyclohexyl] (E)-3-[(2R,3R)-3-methyloxiran-2-yl]prop-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H33ClO6/c1-13(2)6-8-17-21(4,29-17)20-19(26-5)16(10-11-22(20,25)12-23)28-18(24)9-7-15-14(3)27-15/h6-7,9,14-17,19-20,25H,8,10-12H2,1-5H3/b9-7+/t14-,15-,16+,17+,19+,20+,21+,22-/m1/s1 |
| InChI Key | HVVQOFBOWDNQCO-PIPZUTLJSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C22H33ClO6 |
| Molecular Weight | 428.90 g/mol |
| Exact Mass | 428.1965665 g/mol |
| Topological Polar Surface Area (TPSA) | 80.80 Ų |
| XlogP | 2.90 |
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.69% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.80% | 91.11% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 97.05% | 97.28% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 95.78% | 90.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.44% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.03% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.05% | 86.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 90.33% | 91.19% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.34% | 96.95% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 85.86% | 96.77% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.48% | 95.50% |
| CHEMBL2664 | P23526 | Adenosylhomocysteinase | 84.21% | 86.67% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.11% | 92.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.59% | 97.09% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.54% | 95.89% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.50% | 91.07% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 83.31% | 89.05% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.19% | 97.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.74% | 95.89% |
| CHEMBL5028 | O14672 | ADAM10 | 82.69% | 97.50% |
| CHEMBL233 | P35372 | Mu opioid receptor | 81.57% | 97.93% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.33% | 92.50% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 80.63% | 91.24% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.10% | 100.00% |
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 | 132526607 |
| LOTUS | LTS0110568 |
| wikiData | Q105034463 |