methyl (1R,2S,4R,8S,11S,15R,18S,21S,22S,23E,27S)-2,4-dihydroxy-2,6,11,15,24-pentamethyl-28-methylidene-9,16,19-trioxo-18-propan-2-yl-31-oxatetracyclo[25.3.1.05,22.08,21]hentriaconta-5,23-diene-21-carboxylate
| Internal ID | 8465286d-2b71-4564-908c-e5c6c96c8fe4 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquaterpenoids |
| IUPAC Name | methyl (1R,2S,4R,8S,11S,15R,18S,21S,22S,23E,27S)-2,4-dihydroxy-2,6,11,15,24-pentamethyl-28-methylidene-9,16,19-trioxo-18-propan-2-yl-31-oxatetracyclo[25.3.1.05,22.08,21]hentriaconta-5,23-diene-21-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C41H62O8/c1-23(2)29-20-32(42)26(5)12-10-11-24(3)18-33(43)30-19-28(7)38-31(41(30,22-34(29)44)39(46)48-9)17-25(4)13-15-36-27(6)14-16-37(49-36)40(8,47)21-35(38)45/h17,23-24,26,29-31,35-37,45,47H,6,10-16,18-22H2,1-5,7-9H3/b25-17+/t24-,26+,29-,30+,31-,35+,36-,37+,40-,41+/m0/s1 |
| InChI Key | SFVYFUUICYPZNM-RKESNKDKSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C41H62O8 |
| Molecular Weight | 682.90 g/mol |
| Exact Mass | 682.44446893 g/mol |
| Topological Polar Surface Area (TPSA) | 127.00 Ų |
| XlogP | 4.20 |
| There are no found synonyms. |
![2D Structure of methyl (1R,2S,4R,8S,11S,15R,18S,21S,22S,23E,27S)-2,4-dihydroxy-2,6,11,15,24-pentamethyl-28-methylidene-9,16,19-trioxo-18-propan-2-yl-31-oxatetracyclo[25.3.1.05,22.08,21]hentriaconta-5,23-diene-21-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/26f4cd20-855d-11ee-b146-07e36a4b3467.jpg "2D Structure of methyl (1R,2S,4R,8S,11S,15R,18S,21S,22S,23E,27S)-2,4-dihydroxy-2,6,11,15,24-pentamethyl-28-methylidene-9,16,19-trioxo-18-propan-2-yl-31-oxatetracyclo[25.3.1.05,22.08,21]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 | 98.08% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.54% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.94% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.49% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.22% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.15% | 94.45% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 91.18% | 94.33% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 90.62% | 93.03% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.00% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.29% | 97.09% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 87.94% | 96.38% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.53% | 86.33% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.16% | 96.47% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.77% | 91.19% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.70% | 99.23% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.68% | 91.07% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.17% | 97.14% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 84.96% | 93.04% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.86% | 100.00% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 84.36% | 90.93% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.98% | 92.94% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.51% | 89.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.85% | 93.56% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 80.82% | 98.75% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.76% | 96.00% |
| CHEMBL5028 | O14672 | ADAM10 | 80.25% | 97.50% |
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 | 49871289 |
| LOTUS | LTS0122253 |
| wikiData | Q105252091 |