Methyl 2-chloro-4,27-dihydroxy-2,6,11,15,24,28-hexamethyl-9,16,19-trioxo-18-propan-2-yl-31-oxatetracyclo[26.2.1.05,22.08,21]hentriaconta-5,23-diene-21-carboxylate
| Internal ID | 19fb4115-ff86-4c8c-9bc0-64d172a39e44 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquaterpenoids |
| IUPAC Name | methyl 2-chloro-4,27-dihydroxy-2,6,11,15,24,28-hexamethyl-9,16,19-trioxo-18-propan-2-yl-31-oxatetracyclo[26.2.1.05,22.08,21]hentriaconta-5,23-diene-21-carboxylate |
| SMILES (Canonical) | CC1CCCC(C(=O)CC(C(=O)CC2(C(CC(=C3C2C=C(CCC(C4(CCC(O4)C(CC3O)(C)Cl)C)O)C)C)C(=O)C1)C(=O)OC)C(C)C)C |
| SMILES (Isomeric) | CC1CCCC(C(=O)CC(C(=O)CC2(C(CC(=C3C2C=C(CCC(C4(CCC(O4)C(CC3O)(C)Cl)C)O)C)C)C(=O)C1)C(=O)OC)C(C)C)C |
| 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(48)49-9)17-25(4)13-14-35(47)40(8)16-15-36(50-40)39(7,42)21-34(37)46/h17,23-24,26,28-30,34-36,46-47H,10-16,18-22H2,1-9H3 |
| InChI Key | RPIADLQRFXRNHC-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) | 127.00 Ų |
| XlogP | 4.90 |
| There are no found synonyms. |
![2D Structure of Methyl 2-chloro-4,27-dihydroxy-2,6,11,15,24,28-hexamethyl-9,16,19-trioxo-18-propan-2-yl-31-oxatetracyclo[26.2.1.05,22.08,21]hentriaconta-5,23-diene-21-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/78b24c70-864e-11ee-9c6c-cdc682120f58.jpg "2D Structure of Methyl 2-chloro-4,27-dihydroxy-2,6,11,15,24,28-hexamethyl-9,16,19-trioxo-18-propan-2-yl-31-oxatetracyclo[26.2.1.05,22.08,21]hentriaconta-5,23-diene-21-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 | 97.91% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.62% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.98% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.02% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 93.75% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.75% | 95.56% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 90.80% | 96.38% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.68% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.36% | 86.33% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 88.83% | 93.03% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 88.79% | 91.07% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.71% | 97.09% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 87.95% | 94.33% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 87.73% | 98.75% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 87.73% | 91.03% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.48% | 93.56% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 85.04% | 96.77% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.93% | 89.00% |
| CHEMBL5028 | O14672 | ADAM10 | 84.68% | 97.50% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 83.99% | 95.71% |
| CHEMBL2474 | P53582 | Methionine aminopeptidase 1 | 83.13% | 97.09% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.88% | 97.14% |
| CHEMBL4073 | P09237 | Matrix metalloproteinase 7 | 81.82% | 97.56% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 81.66% | 94.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.47% | 92.94% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.20% | 96.47% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.96% | 100.00% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 80.33% | 92.88% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 80.06% | 86.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 73323729 |
| LOTUS | LTS0161607 |
| wikiData | Q105242694 |