chlorovulone IV
| Internal ID | 9bbc90fe-edd8-4b32-94a0-88fd4485cdbe |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Eicosanoids > Clavulones and derivatives |
| IUPAC Name | methyl (Z,7Z)-7-[(2R)-4-chloro-2-hydroxy-2-[(Z)-oct-2-enyl]-5-oxocyclopent-3-en-1-ylidene]hept-5-enoate |
| SMILES (Canonical) | CCCCCC=CCC1(C=C(C(=O)C1=CC=CCCCC(=O)OC)Cl)O |
| SMILES (Isomeric) | CCCCC/C=C\C[C@]\1(C=C(C(=O)/C1=C\C=C/CCCC(=O)OC)Cl)O |
| InChI | InChI=1S/C21H29ClO4/c1-3-4-5-6-9-12-15-21(25)16-18(22)20(24)17(21)13-10-7-8-11-14-19(23)26-2/h7,9-10,12-13,16,25H,3-6,8,11,14-15H2,1-2H3/b10-7-,12-9-,17-13+/t21-/m1/s1 |
| InChI Key | CTIZPKYMYVPNGA-RAUOOXNLSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H29ClO4 |
| Molecular Weight | 380.90 g/mol |
| Exact Mass | 380.1754371 g/mol |
| Topological Polar Surface Area (TPSA) | 63.60 Ų |
| XlogP | 5.10 |
| 100201-69-2 |
| methyl (Z,7Z)-7-[(2R)-4-chloro-2-hydroxy-2-[(Z)-oct-2-enyl]-5-oxocyclopent-3-en-1-ylidene]hept-5-enoate |
| (5Z,7Z,14Z)-10-Chloro-12-hydroxy-9-oxoprosta-5,7,10,14-tetren-1-oic acid methyl ester |
| methyl 9-oxo-10-chloro-12R-hydroxy-5Z,7Z,10Z,13Z-prostatetraenoate-cyclo[8,12] |
| LMFA03120011 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.19% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.81% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.59% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 93.56% | 90.17% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 91.78% | 89.63% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 91.00% | 89.34% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.99% | 99.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.98% | 96.00% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 89.97% | 85.94% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.73% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.88% | 94.73% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 86.77% | 96.90% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.13% | 96.95% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 86.13% | 92.08% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.47% | 95.56% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 83.48% | 92.86% |
| CHEMBL240 | Q12809 | HERG | 82.92% | 89.76% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 82.69% | 92.88% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.97% | 94.33% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 81.91% | 97.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.74% | 86.33% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.88% | 100.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.34% | 92.50% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.11% | 93.56% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 80.05% | 85.30% |
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 | 5283225 |
| LOTUS | LTS0133380 |
| wikiData | Q104969825 |