[4,18-Diacetyloxy-16-hydroxy-1,5,10,15-tetramethyl-6-(5-oxooxolan-3-yl)-13-oxapentacyclo[10.6.1.02,10.05,9.015,19]nonadec-8-en-11-yl] 3,4-dimethylpent-2-enoate
| Internal ID | 8cae425a-a381-45d3-a592-8536039c9fd0 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids > Limonoids |
| IUPAC Name | [4,18-diacetyloxy-16-hydroxy-1,5,10,15-tetramethyl-6-(5-oxooxolan-3-yl)-13-oxapentacyclo[10.6.1.02,10.05,9.015,19]nonadec-8-en-11-yl] 3,4-dimethylpent-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C37H52O10/c1-18(2)19(3)12-30(42)47-33-31-32-34(6,17-44-31)26(40)15-28(46-21(5)39)37(32,9)25-14-27(45-20(4)38)35(7)23(22-13-29(41)43-16-22)10-11-24(35)36(25,33)8/h11-12,18,22-23,25-28,31-33,40H,10,13-17H2,1-9H3 |
| InChI Key | GWHCYEGDOGSJQJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C37H52O10 |
| Molecular Weight | 656.80 g/mol |
| Exact Mass | 656.35604785 g/mol |
| Topological Polar Surface Area (TPSA) | 135.00 Ų |
| XlogP | 5.00 |
| There are no found synonyms. |
![2D Structure of [4,18-Diacetyloxy-16-hydroxy-1,5,10,15-tetramethyl-6-(5-oxooxolan-3-yl)-13-oxapentacyclo[10.6.1.02,10.05,9.015,19]nonadec-8-en-11-yl] 3,4-dimethylpent-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/74f81830-85ae-11ee-bcbe-1347b90114f9.jpg "2D Structure of [4,18-Diacetyloxy-16-hydroxy-1,5,10,15-tetramethyl-6-(5-oxooxolan-3-yl)-13-oxapentacyclo[10.6.1.02,10.05,9.015,19]nonadec-8-en-11-yl] 3,4-dimethylpent-2-enoate")
| 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 | 98.68% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.54% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.04% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.16% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.66% | 97.25% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.08% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.60% | 89.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 90.90% | 91.07% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.58% | 96.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 90.27% | 83.82% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.14% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.06% | 97.09% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 87.77% | 97.21% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 87.50% | 96.47% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.94% | 91.19% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.89% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.41% | 99.23% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 85.28% | 98.75% |
| CHEMBL5028 | O14672 | ADAM10 | 84.78% | 97.50% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.26% | 92.62% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.88% | 95.50% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 81.54% | 94.80% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.01% | 96.77% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.00% | 93.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.76% | 94.73% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 80.65% | 89.34% |
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.
| Didymocheton gaudichaudianum |
| PubChem | 162958965 |
| LOTUS | LTS0074954 |
| wikiData | Q105022361 |