Methyl 22-chloro-19,21-dihydroxy-8,12,17,21,25,30-hexamethyl-4,7,14-trioxo-5-propan-2-yl-26-oxatetracyclo[16.13.0.02,15.025,27]hentriaconta-17,30-diene-2-carboxylate
| Internal ID | 441c973e-04ec-4e8d-bcea-902450076fe1 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquaterpenoids |
| IUPAC Name | methyl 22-chloro-19,21-dihydroxy-8,12,17,21,25,30-hexamethyl-4,7,14-trioxo-5-propan-2-yl-26-oxatetracyclo[16.13.0.02,15.025,27]hentriaconta-17,30-diene-2-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C41H63ClO8/c1-23(2)28-20-31(43)26(5)12-10-11-24(3)18-32(44)29-19-27(6)37-30(41(29,22-33(28)45)38(47)49-9)17-25(4)13-14-36-40(8,50-36)16-15-35(42)39(7,48)21-34(37)46/h17,23-24,26,28-30,34-36,46,48H,10-16,18-22H2,1-9H3 |
| InChI Key | JLHAOQMKTFIUTM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C41H63ClO8 |
| Molecular Weight | 719.40 g/mol |
| Exact Mass | 718.4211467 g/mol |
| Topological Polar Surface Area (TPSA) | 131.00 Ų |
| XlogP | 4.90 |
| There are no found synonyms. |
![2D Structure of Methyl 22-chloro-19,21-dihydroxy-8,12,17,21,25,30-hexamethyl-4,7,14-trioxo-5-propan-2-yl-26-oxatetracyclo[16.13.0.02,15.025,27]hentriaconta-17,30-diene-2-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/4fae20c0-8425-11ee-bdff-a5dba659acf7.jpg "2D Structure of Methyl 22-chloro-19,21-dihydroxy-8,12,17,21,25,30-hexamethyl-4,7,14-trioxo-5-propan-2-yl-26-oxatetracyclo[16.13.0.02,15.025,27]hentriaconta-17,30-diene-2-carboxylate")
| 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 | 97.13% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.98% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.97% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.97% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.71% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.26% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.63% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.55% | 86.33% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 92.03% | 93.03% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 89.86% | 91.03% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 89.81% | 94.33% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 89.29% | 97.14% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 87.85% | 90.93% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 87.04% | 95.34% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.90% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.53% | 97.09% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 86.17% | 93.04% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.67% | 93.56% |
| CHEMBL4073 | P09237 | Matrix metalloproteinase 7 | 83.98% | 97.56% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.62% | 91.07% |
| CHEMBL5028 | O14672 | ADAM10 | 83.52% | 97.50% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.23% | 91.19% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 82.53% | 96.77% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.44% | 99.23% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 82.35% | 98.75% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.59% | 96.90% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.57% | 100.00% |
| CHEMBL2474 | P53582 | Methionine aminopeptidase 1 | 81.53% | 97.09% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 81.07% | 94.78% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.00% | 100.00% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 80.86% | 96.38% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.60% | 89.00% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 80.45% | 94.00% |
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 | 73323775 |
| LOTUS | LTS0054010 |
| wikiData | Q105130709 |