X-14889C
| Internal ID | 34c8ed51-ccbd-411c-9892-ec3e07c00a58 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesterterpenoids |
| IUPAC Name | 2-[6-[6-[5-[5-ethyl-2-hydroxy-5-(1-hydroxyethyl)-3-methyloxolan-2-yl]-3,5-dimethyloxolan-2-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-3,5-dimethyloxan-2-yl]ethaneperoxoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C33H58O10/c1-11-24(30-19(5)15-31(10,41-30)33(38)20(6)16-32(12-2,43-33)23(9)34)28(37)21(7)27(36)22(8)29-18(4)13-17(3)25(40-29)14-26(35)42-39/h17-25,27,29-30,34,36,38-39H,11-16H2,1-10H3 |
| InChI Key | TUKSVVJYALUTJH-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C33H58O10 |
| Molecular Weight | 614.80 g/mol |
| Exact Mass | 614.40299804 g/mol |
| Topological Polar Surface Area (TPSA) | 152.00 Ų |
| XlogP | 4.20 |
| There are no found synonyms. |
| 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 | 97.58% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.00% | 97.25% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 96.15% | 94.45% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 94.82% | 96.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.77% | 97.09% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 93.64% | 98.75% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 93.16% | 96.61% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.13% | 91.11% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 92.83% | 96.47% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 91.90% | 95.71% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.77% | 90.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.81% | 85.14% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 89.92% | 92.86% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 88.39% | 89.50% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 87.10% | 82.50% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 86.93% | 98.05% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 86.80% | 95.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.22% | 89.00% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 85.85% | 97.64% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.76% | 97.14% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.52% | 95.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.09% | 99.23% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.80% | 91.19% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.09% | 86.33% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.58% | 93.56% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 82.17% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.79% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.93% | 99.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.88% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.67% | 90.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.44% | 91.07% |
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 | 78299345 |
| LOTUS | LTS0211520 |
| wikiData | Q77419710 |