[(1S,2S,3R,4R,5S,7S,8R,11S,17S)-4-hydroxy-4,8,11-trimethyl-15-methylidene-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadecan-5-yl] octanoate
| Internal ID | 510bcacc-9b41-42dd-9824-8943c57612bd |
| Taxonomy | Organoheterocyclic compounds > Oxepanes |
| IUPAC Name | [(1S,2S,3R,4R,5S,7S,8R,11S,17S)-4-hydroxy-4,8,11-trimethyl-15-methylidene-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadecan-5-yl] octanoate |
| SMILES (Canonical) | CCCCCCCC(=O)OC1CC2C(COC3(CCCC(=C)CC4C(C2C3O4)C1(C)O)C)C |
| SMILES (Isomeric) | CCCCCCCC(=O)O[C@H]1C[C@H]2[C@H](CO[C@]3(CCCC(=C)C[C@H]4[C@@H]([C@H]2[C@@H]3O4)[C@@]1(C)O)C)C |
| InChI | InChI=1S/C28H46O5/c1-6-7-8-9-10-13-23(29)33-22-16-20-19(3)17-31-27(4)14-11-12-18(2)15-21-25(28(22,5)30)24(20)26(27)32-21/h19-22,24-26,30H,2,6-17H2,1,3-5H3/t19-,20-,21-,22-,24-,25-,26-,27-,28-/m0/s1 |
| InChI Key | GGABJCIMEQXKJD-PLDABBGUSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H46O5 |
| Molecular Weight | 462.70 g/mol |
| Exact Mass | 462.33452456 g/mol |
| Topological Polar Surface Area (TPSA) | 65.00 Ų |
| XlogP | 5.60 |
| There are no found synonyms. |
![2D Structure of [(1S,2S,3R,4R,5S,7S,8R,11S,17S)-4-hydroxy-4,8,11-trimethyl-15-methylidene-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadecan-5-yl] octanoate](https://plantaedb.com/storage/docs/compounds/2023/11/52429ef0-8662-11ee-b32f-6f232f1f9cff.jpg "2D Structure of [(1S,2S,3R,4R,5S,7S,8R,11S,17S)-4-hydroxy-4,8,11-trimethyl-15-methylidene-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadecan-5-yl] octanoate")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.91% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.74% | 91.11% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 95.87% | 98.03% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 95.10% | 97.79% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.09% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.77% | 97.25% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 94.30% | 89.63% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.80% | 86.33% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 92.06% | 92.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.83% | 99.17% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 91.74% | 92.86% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 91.44% | 91.19% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 91.38% | 95.50% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 91.04% | 100.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 90.28% | 92.94% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 89.75% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.59% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.43% | 94.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.87% | 100.00% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 86.35% | 89.05% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 86.27% | 82.50% |
| CHEMBL3045 | P05771 | Protein kinase C beta | 85.92% | 97.63% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.30% | 92.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.78% | 89.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.05% | 93.56% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.07% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.36% | 99.23% |
| CHEMBL5028 | O14672 | ADAM10 | 81.18% | 97.50% |
| CHEMBL1944495 | P28065 | Proteasome subunit beta type-9 | 80.47% | 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.
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| There are no matching plants. |
| PubChem | 10790241 |
| LOTUS | LTS0153711 |
| wikiData | Q105007933 |