[(1R)-4-[(2R,4aS,6R,8aR)-2-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4a-methyl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-6-yl]-1-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]pent-4-enyl] acetate
| Internal ID | 63c5ac5a-3643-49ad-a8ea-78c78a00d464 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | [(1R)-4-[(2R,4aS,6R,8aR)-2-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4a-methyl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-6-yl]-1-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]pent-4-enyl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C32H54O7/c1-21(2)11-10-18-30(7,35)26-17-20-31(8)28(37-26)15-13-24(38-31)22(3)12-14-27(36-23(4)33)32(9)19-16-25(39-32)29(5,6)34/h11,24-28,34-35H,3,10,12-20H2,1-2,4-9H3/t24-,25-,26-,27-,28-,30+,31+,32+/m1/s1 |
| InChI Key | CWLKIXLDBPFKPT-JQIUNSHOSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C32H54O7 |
| Molecular Weight | 550.80 g/mol |
| Exact Mass | 550.38695406 g/mol |
| Topological Polar Surface Area (TPSA) | 94.50 Ų |
| XlogP | 5.30 |
| There are no found synonyms. |
![2D Structure of [(1R)-4-[(2R,4aS,6R,8aR)-2-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4a-methyl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-6-yl]-1-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]pent-4-enyl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/84f8dbe0-8657-11ee-abf8-2fde3d2720f9.jpg "2D Structure of [(1R)-4-[(2R,4aS,6R,8aR)-2-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4a-methyl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-6-yl]-1-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]pent-4-enyl] acetate")
| 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 | 97.96% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.74% | 94.45% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 97.69% | 95.69% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.10% | 97.25% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 94.50% | 96.61% |
| CHEMBL233 | P35372 | Mu opioid receptor | 94.28% | 97.93% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.20% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.80% | 96.09% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 91.51% | 96.95% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 91.01% | 96.77% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.44% | 97.09% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 89.06% | 97.47% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 88.46% | 97.21% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.44% | 91.19% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.90% | 94.73% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.87% | 92.62% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 86.76% | 100.00% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 86.72% | 95.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.27% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.22% | 86.33% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 85.96% | 98.10% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 85.02% | 82.50% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.96% | 100.00% |
| CHEMBL2842 | P42345 | Serine/threonine-protein kinase mTOR | 84.82% | 92.78% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.37% | 93.56% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 84.34% | 89.50% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 84.15% | 89.05% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 83.77% | 94.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.71% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.41% | 89.00% |
| CHEMBL3975 | P09467 | Fructose-1,6-bisphosphatase | 83.16% | 92.95% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.11% | 91.07% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.97% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.68% | 97.14% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 82.62% | 98.33% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.10% | 95.89% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.87% | 85.14% |
| CHEMBL236 | P41143 | Delta opioid receptor | 81.81% | 99.35% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.92% | 95.50% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 80.37% | 97.33% |
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 | 21774560 |
| LOTUS | LTS0092112 |
| wikiData | Q104971351 |