(5-hydroxy-2-methylidenepent-3-enyl) 2-hydroxy-3-[11-hydroxy-2-[4-[4-hydroxy-2-[1-hydroxy-3-(3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl)butyl]-3-methylidenespiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-yl]-4-methyl-1,7-dioxaspiro[5.5]undec-4-en-8-yl]-2-methylpropanoate
| Internal ID | 2b0579a8-6e86-41a5-9816-3c0e52a2f623 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acid esters |
| IUPAC Name | (5-hydroxy-2-methylidenepent-3-enyl) 2-hydroxy-3-[11-hydroxy-2-[4-[4-hydroxy-2-[1-hydroxy-3-(3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl)butyl]-3-methylidenespiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-yl]-4-methyl-1,7-dioxaspiro[5.5]undec-4-en-8-yl]-2-methylpropanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C50H76O14/c1-30(11-10-23-51)29-57-46(55)47(7,56)28-37-14-15-41(53)50(61-37)27-31(2)25-40(62-50)32(3)12-13-36-17-21-49(60-36)22-18-39-45(64-49)42(54)35(6)44(59-39)38(52)26-34(5)43-33(4)16-20-48(63-43)19-8-9-24-58-48/h10-13,27,32-34,36-45,51-54,56H,1,6,8-9,14-26,28-29H2,2-5,7H3 |
| InChI Key | ZYTGAFMIXFXZSG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C50H76O14 |
| Molecular Weight | 901.10 g/mol |
| Exact Mass | 900.52350709 g/mol |
| Topological Polar Surface Area (TPSA) | 192.00 Ų |
| XlogP | 4.40 |
| There are no found synonyms. |
![2D Structure of (5-hydroxy-2-methylidenepent-3-enyl) 2-hydroxy-3-[11-hydroxy-2-[4-[4-hydroxy-2-[1-hydroxy-3-(3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl)butyl]-3-methylidenespiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-yl]-4-methyl-1,7-dioxaspiro[5.5]undec-4-en-8-yl]-2-methylpropanoate](https://plantaedb.com/storage/docs/compounds/2023/11/c3d5bd80-8607-11ee-813a-ab23d5cb9af7.jpg "2D Structure of (5-hydroxy-2-methylidenepent-3-enyl) 2-hydroxy-3-[11-hydroxy-2-[4-[4-hydroxy-2-[1-hydroxy-3-(3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl)butyl]-3-methylidenespiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-yl]-4-methyl-1,7-dioxaspiro[5.5]undec-4-en-8-yl]-2-methylpropanoate")
| 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 | 98.13% | 91.11% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 97.00% | 89.63% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.95% | 97.25% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 96.82% | 91.24% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.74% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.32% | 98.95% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 96.09% | 96.61% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 95.77% | 96.47% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 94.34% | 96.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.10% | 94.45% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 93.50% | 93.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.16% | 94.73% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 89.29% | 83.82% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.90% | 99.17% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 88.64% | 92.88% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 87.95% | 89.05% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 87.59% | 93.03% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 87.44% | 98.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.19% | 97.09% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 86.53% | 100.00% |
| CHEMBL4506 | Q96EB6 | NAD-dependent deacetylase sirtuin 1 | 86.48% | 88.33% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 86.18% | 97.79% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.11% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.02% | 95.89% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 85.75% | 97.31% |
| CHEMBL5028 | O14672 | ADAM10 | 85.51% | 97.50% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 85.08% | 99.43% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.96% | 100.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.82% | 100.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 84.01% | 97.21% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.86% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.82% | 96.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.70% | 91.07% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 83.04% | 90.24% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 81.76% | 98.03% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 81.71% | 89.34% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.11% | 86.33% |
| CHEMBL1871 | P10275 | Androgen Receptor | 80.86% | 96.43% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.70% | 90.17% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.09% | 96.90% |
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 | 73837903 |
| LOTUS | LTS0137192 |
| wikiData | Q105386399 |