methyl (1S,2R,3R,8R,10Z,14Z,18R,21R,22R,23Z,27R)-2,3-dihydroxy-2,6,11,15,24,28-hexamethyl-9,16,19-trioxo-18-propan-2-yl-31-oxatetracyclo[25.3.1.05,22.08,21]hentriaconta-5,10,14,23,28-pentaene-21-carboxylate
| Internal ID | d90ac31e-cd8e-4488-999f-8757a5a73b89 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquaterpenoids |
| IUPAC Name | methyl (1S,2R,3R,8R,10Z,14Z,18R,21R,22R,23Z,27R)-2,3-dihydroxy-2,6,11,15,24,28-hexamethyl-9,16,19-trioxo-18-propan-2-yl-31-oxatetracyclo[25.3.1.05,22.08,21]hentriaconta-5,10,14,23,28-pentaene-21-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C41H58O8/c1-23(2)29-20-33(42)26(5)12-10-11-24(3)18-34(43)32-19-28(7)30-21-37(45)40(8,47)38-16-14-27(6)36(49-38)15-13-25(4)17-31(30)41(32,22-35(29)44)39(46)48-9/h12,14,17-18,23,29,31-32,36-38,45,47H,10-11,13,15-16,19-22H2,1-9H3/b24-18-,25-17-,26-12-/t29-,31-,32+,36-,37-,38+,40-,41-/m1/s1 |
| InChI Key | UNAARPYXKDMZJO-VGMGMWSJSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C41H58O8 |
| Molecular Weight | 678.90 g/mol |
| Exact Mass | 678.41316880 g/mol |
| Topological Polar Surface Area (TPSA) | 127.00 Ų |
| XlogP | 3.40 |
| There are no found synonyms. |
![2D Structure of methyl (1S,2R,3R,8R,10Z,14Z,18R,21R,22R,23Z,27R)-2,3-dihydroxy-2,6,11,15,24,28-hexamethyl-9,16,19-trioxo-18-propan-2-yl-31-oxatetracyclo[25.3.1.05,22.08,21]hentriaconta-5,10,14,23,28-pentaene-21-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/ae219400-860f-11ee-8944-07cbd3144d90.jpg "2D Structure of methyl (1S,2R,3R,8R,10Z,14Z,18R,21R,22R,23Z,27R)-2,3-dihydroxy-2,6,11,15,24,28-hexamethyl-9,16,19-trioxo-18-propan-2-yl-31-oxatetracyclo[25.3.1.05,22.08,21]hentriaconta-5,10,14,23,28-pentaene-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 | 98.99% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.10% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.15% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.65% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.16% | 85.14% |
| CHEMBL4072 | P07858 | Cathepsin B | 93.19% | 93.67% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.93% | 95.89% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 91.52% | 96.77% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 90.76% | 97.47% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 90.44% | 94.33% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 90.16% | 96.38% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.80% | 95.56% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 88.19% | 96.47% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.06% | 94.75% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.02% | 93.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.80% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.38% | 91.19% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.37% | 93.03% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.32% | 95.89% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 84.53% | 93.04% |
| CHEMBL5028 | O14672 | ADAM10 | 84.47% | 97.50% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.44% | 97.14% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 84.41% | 93.99% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.40% | 99.23% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 84.39% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.04% | 89.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.00% | 90.71% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 82.86% | 91.24% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 82.25% | 92.88% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.19% | 91.07% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.15% | 97.25% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 81.94% | 97.79% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.89% | 94.00% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 81.08% | 96.61% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.11% | 90.00% |
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 | 101589434 |
| LOTUS | LTS0070234 |
| wikiData | Q105275848 |