Methyl 29-hydroxy-3,8,12,21,25,29-hexamethyl-6,13,16,24-tetraoxo-15-propan-2-yl-31-oxatetracyclo[26.2.1.02,19.05,18]hentriaconta-2,20-diene-18-carboxylate
| Internal ID | 12416b31-6a0f-40bc-a32e-fc9e02c94035 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquaterpenoids |
| IUPAC Name | methyl 29-hydroxy-3,8,12,21,25,29-hexamethyl-6,13,16,24-tetraoxo-15-propan-2-yl-31-oxatetracyclo[26.2.1.02,19.05,18]hentriaconta-2,20-diene-18-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C41H62O8/c1-23(2)29-20-33(43)26(5)12-10-11-24(3)18-34(44)30-19-28(7)38-31(41(30,21-35(29)45)39(46)48-9)17-25(4)13-15-32(42)27(6)14-16-37-40(8,47)22-36(38)49-37/h17,23-24,26-27,29-31,36-37,47H,10-16,18-22H2,1-9H3 |
| InChI Key | NQULTQJDLAINFX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C41H62O8 |
| Molecular Weight | 682.90 g/mol |
| Exact Mass | 682.44446893 g/mol |
| Topological Polar Surface Area (TPSA) | 124.00 Ų |
| XlogP | 4.50 |
| There are no found synonyms. |
![2D Structure of Methyl 29-hydroxy-3,8,12,21,25,29-hexamethyl-6,13,16,24-tetraoxo-15-propan-2-yl-31-oxatetracyclo[26.2.1.02,19.05,18]hentriaconta-2,20-diene-18-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/32cd5ae0-8712-11ee-999a-9f4d250de3d1.jpg "2D Structure of Methyl 29-hydroxy-3,8,12,21,25,29-hexamethyl-6,13,16,24-tetraoxo-15-propan-2-yl-31-oxatetracyclo[26.2.1.02,19.05,18]hentriaconta-2,20-diene-18-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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.87% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.56% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.29% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.20% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.85% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.63% | 94.45% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 91.51% | 94.33% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 90.07% | 96.38% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.89% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.63% | 97.09% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 89.23% | 93.03% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.43% | 86.33% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 86.94% | 90.93% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 86.11% | 93.04% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.01% | 97.14% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 85.90% | 96.47% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.26% | 99.23% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.51% | 91.19% |
| CHEMBL5028 | O14672 | ADAM10 | 82.28% | 97.50% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.93% | 91.07% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.56% | 100.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.39% | 92.94% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 81.16% | 91.03% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 80.92% | 92.88% |
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 | 72804510 |
| LOTUS | LTS0079189 |
| wikiData | Q105184100 |