Methyl 6-(6,13-diacetyloxy-18-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl)-2-methylhept-2-enoate
| Internal ID | 634b131e-7b5c-48c0-bb60-217cdd79ff0c |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cycloartanols and derivatives |
| IUPAC Name | methyl 6-(6,13-diacetyloxy-18-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl)-2-methylhept-2-enoate |
| SMILES (Canonical) | CC(CCC=C(C)C(=O)OC)C1CC(C2(C1(CC(C34C2CCC5C3(C4)CCC(C5(C)C)OC(=O)C)O)C)C)OC(=O)C |
| SMILES (Isomeric) | CC(CCC=C(C)C(=O)OC)C1CC(C2(C1(CC(C34C2CCC5C3(C4)CCC(C5(C)C)OC(=O)C)O)C)C)OC(=O)C |
| InChI | InChI=1S/C35H54O7/c1-20(11-10-12-21(2)30(39)40-9)24-17-29(42-23(4)37)33(8)26-14-13-25-31(5,6)28(41-22(3)36)15-16-34(25)19-35(26,34)27(38)18-32(24,33)7/h12,20,24-29,38H,10-11,13-19H2,1-9H3 |
| InChI Key | ONYGINMJRZMHES-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C35H54O7 |
| Molecular Weight | 586.80 g/mol |
| Exact Mass | 586.38695406 g/mol |
| Topological Polar Surface Area (TPSA) | 99.10 Ų |
| XlogP | 7.10 |
| There are no found synonyms. |
![2D Structure of Methyl 6-(6,13-diacetyloxy-18-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl)-2-methylhept-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/7931ec10-81fd-11ee-9742-5fdb1ed9711c.jpg "2D Structure of Methyl 6-(6,13-diacetyloxy-18-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl)-2-methylhept-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.07% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.56% | 94.45% |
| CHEMBL3837 | P07711 | Cathepsin L | 97.24% | 96.61% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.08% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.87% | 97.25% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 93.81% | 95.58% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 92.74% | 96.38% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 92.60% | 95.71% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 91.78% | 91.19% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 91.08% | 82.69% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 90.27% | 89.50% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 89.78% | 96.95% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 89.42% | 98.75% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 89.22% | 97.47% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.94% | 98.95% |
| CHEMBL268 | P43235 | Cathepsin K | 88.73% | 96.85% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 88.33% | 100.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 87.91% | 94.33% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 87.17% | 96.25% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 86.50% | 93.00% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 86.33% | 92.88% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 86.03% | 96.77% |
| CHEMBL236 | P41143 | Delta opioid receptor | 85.71% | 99.35% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 85.62% | 89.34% |
| CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 85.14% | 95.36% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.13% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.57% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.27% | 92.62% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 84.00% | 95.71% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.51% | 95.50% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.38% | 93.56% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 82.77% | 97.50% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 82.77% | 91.24% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.67% | 100.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 82.52% | 97.79% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.53% | 99.17% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.39% | 91.07% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.12% | 97.14% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 81.07% | 96.61% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 80.78% | 91.03% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.45% | 89.00% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 80.27% | 98.03% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.16% | 96.90% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 80.02% | 98.10% |
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.
| Ananas comosus |
| PubChem | 162863512 |
| LOTUS | LTS0221535 |
| wikiData | Q105195220 |