F-10863C
| Internal ID | eb3859bc-9906-4332-b530-1bd32795c0d2 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Pentacarboxylic acids and derivatives |
| IUPAC Name | (1R,3R,4S,5R,6S,7S)-1-[(E)-4-acetyloxy-5-methyl-8-phenyloct-7-enyl]-4,7-dihydroxy-6-(9-phenylnonanoyloxy)-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C41H52O14/c1-27(17-15-23-30-21-12-8-13-22-30)31(52-28(2)42)24-16-26-39-33(44)34(41(55-39,38(49)50)40(51,37(47)48)35(54-39)36(45)46)53-32(43)25-14-6-4-3-5-9-18-29-19-10-7-11-20-29/h7-8,10-13,15,19-23,27,31,33-35,44,51H,3-6,9,14,16-18,24-26H2,1-2H3,(H,45,46)(H,47,48)(H,49,50)/b23-15+/t27?,31?,33-,34-,35-,39+,40+,41-/m0/s1 |
| InChI Key | OIONUHQXBWQMKU-JETLYKJPSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C41H52O14 |
| Molecular Weight | 768.80 g/mol |
| Exact Mass | 768.33570633 g/mol |
| Topological Polar Surface Area (TPSA) | 223.00 Ų |
| XlogP | 6.60 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.75% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.72% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.92% | 98.95% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 97.85% | 94.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.71% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.02% | 99.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 93.57% | 96.00% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 93.30% | 94.08% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.87% | 90.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.11% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.85% | 95.56% |
| CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 87.99% | 100.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 87.14% | 95.50% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 86.11% | 91.71% |
| CHEMBL5028 | O14672 | ADAM10 | 84.92% | 97.50% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.05% | 95.89% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.75% | 93.56% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 83.36% | 95.17% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.25% | 100.00% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 82.04% | 97.29% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.32% | 89.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.78% | 100.00% |
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 | 139585603 |
| LOTUS | LTS0084127 |
| wikiData | Q77483303 |