[5-Chloro-3-(4-hydroxy-2-methyl-6-oxocyclohexen-1-yl)-7-methyl-6,8-dioxoisochromen-7-yl] 2,4-dimethyldec-2-enoate
| Internal ID | 5da082ab-1f01-4f1d-b92b-78435b0e6e2f |
| Taxonomy | Organoheterocyclic compounds > Azaphilones |
| IUPAC Name | [5-chloro-3-(4-hydroxy-2-methyl-6-oxocyclohexen-1-yl)-7-methyl-6,8-dioxoisochromen-7-yl] 2,4-dimethyldec-2-enoate |
| SMILES (Canonical) | CCCCCCC(C)C=C(C)C(=O)OC1(C(=O)C2=COC(=CC2=C(C1=O)Cl)C3=C(CC(CC3=O)O)C)C |
| SMILES (Isomeric) | CCCCCCC(C)C=C(C)C(=O)OC1(C(=O)C2=COC(=CC2=C(C1=O)Cl)C3=C(CC(CC3=O)O)C)C |
| InChI | InChI=1S/C29H35ClO7/c1-6-7-8-9-10-16(2)11-18(4)28(35)37-29(5)26(33)21-15-36-23(14-20(21)25(30)27(29)34)24-17(3)12-19(31)13-22(24)32/h11,14-16,19,31H,6-10,12-13H2,1-5H3 |
| InChI Key | NVHCPOZPGZLIDP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H35ClO7 |
| Molecular Weight | 531.00 g/mol |
| Exact Mass | 530.2071311 g/mol |
| Topological Polar Surface Area (TPSA) | 107.00 Ų |
| XlogP | 5.40 |
| There are no found synonyms. |
![2D Structure of [5-Chloro-3-(4-hydroxy-2-methyl-6-oxocyclohexen-1-yl)-7-methyl-6,8-dioxoisochromen-7-yl] 2,4-dimethyldec-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/59779190-8492-11ee-b370-8b163775c876.jpg "2D Structure of [5-Chloro-3-(4-hydroxy-2-methyl-6-oxocyclohexen-1-yl)-7-methyl-6,8-dioxoisochromen-7-yl] 2,4-dimethyldec-2-enoate")
| 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 | 99.35% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 99.10% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.17% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.55% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.69% | 99.17% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 93.14% | 96.61% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 92.64% | 93.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.40% | 94.73% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.41% | 90.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.39% | 97.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.52% | 90.71% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.35% | 97.25% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.28% | 86.33% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 88.27% | 98.03% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 88.25% | 97.79% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 87.78% | 97.29% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.75% | 95.56% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 86.92% | 92.29% |
| CHEMBL236 | P41143 | Delta opioid receptor | 86.09% | 99.35% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.57% | 89.00% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 85.37% | 92.86% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.96% | 91.19% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.84% | 100.00% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 83.48% | 91.81% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.06% | 100.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 81.57% | 89.34% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 81.49% | 90.08% |
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 | 162947309 |
| LOTUS | LTS0060511 |
| wikiData | Q104180053 |