Palustrisoic acid C
| Internal ID | 3ee77257-ce19-4cad-b9b5-2287e00b0e73 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (2S,6R)-6-[(3S,5R,10S,12R,13R,14S,17R)-3-[(3S)-4-carboxy-3-hydroxy-3-methylbutanoyl]oxy-12-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-3-methylideneheptanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C37H58O8/c1-21(23(3)32(42)43)10-11-22(2)24-14-17-36(8)25-12-13-27-33(4,5)29(45-31(41)20-34(6,44)19-30(39)40)15-16-35(27,7)26(25)18-28(38)37(24,36)9/h22-24,27-29,38,44H,1,10-20H2,2-9H3,(H,39,40)(H,42,43)/t22-,23+,24-,27+,28-,29+,34+,35-,36+,37+/m1/s1 |
| InChI Key | PDPHXWNFSFMLOA-JAKLSMARSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C37H58O8 |
| Molecular Weight | 630.80 g/mol |
| Exact Mass | 630.41316880 g/mol |
| Topological Polar Surface Area (TPSA) | 141.00 Ų |
| XlogP | 6.80 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.75% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.45% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.66% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.39% | 91.11% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 92.07% | 93.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.14% | 90.17% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 88.77% | 100.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 88.26% | 96.47% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.88% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.85% | 95.56% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 86.78% | 93.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.26% | 99.17% |
| CHEMBL5028 | O14672 | ADAM10 | 85.64% | 97.50% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.24% | 91.19% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 83.23% | 82.50% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.76% | 89.50% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.75% | 95.89% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.68% | 100.00% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 82.53% | 85.31% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.43% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.21% | 89.00% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 81.50% | 95.17% |
| CHEMBL233 | P35372 | Mu opioid receptor | 80.71% | 97.93% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.41% | 96.90% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 80.19% | 98.10% |
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 | 139590979 |
| LOTUS | LTS0074546 |
| wikiData | Q105206654 |