8-Hydroxyircinialactam A
| Internal ID | cc8d5727-5b1c-454e-802d-b3cd12a88f8a |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Diterpene lactones |
| IUPAC Name | 2-[4-[(E,12S,13Z)-4-hydroxy-13-(3-hydroxy-4-methyl-5-oxofuran-2-ylidene)-4,8,12-trimethyltridec-7-enyl]-5-oxo-2H-pyrrol-1-yl]acetic acid |
| SMILES (Canonical) | CC1=C(C(=CC(C)CCCC(=CCCC(C)(CCCC2=CCN(C2=O)CC(=O)O)O)C)OC1=O)O |
| SMILES (Isomeric) | CC1=C(/C(=C/[C@@H](C)CCC/C(=C/CCC(C)(CCCC2=CCN(C2=O)CC(=O)O)O)/C)/OC1=O)O |
| InChI | InChI=1S/C27H39NO7/c1-18(8-5-9-19(2)16-22-24(31)20(3)26(33)35-22)10-6-13-27(4,34)14-7-11-21-12-15-28(25(21)32)17-23(29)30/h10,12,16,19,31,34H,5-9,11,13-15,17H2,1-4H3,(H,29,30)/b18-10+,22-16-/t19-,27?/m0/s1 |
| InChI Key | WYYBBHDVIXUYQA-XYFXRZADSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C27H39NO7 |
| Molecular Weight | 489.60 g/mol |
| Exact Mass | 489.27265258 g/mol |
| Topological Polar Surface Area (TPSA) | 124.00 Ų |
| XlogP | 4.10 |
| CHEMBL1093838 |
| 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 | 98.93% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.35% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.82% | 94.73% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 93.79% | 90.71% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.43% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.35% | 97.25% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.25% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.24% | 95.56% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 90.67% | 93.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 90.66% | 97.21% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.77% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.59% | 99.23% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.78% | 93.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.73% | 99.17% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.66% | 96.47% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.63% | 100.00% |
| CHEMBL5028 | O14672 | ADAM10 | 80.63% | 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.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 54733865 |
| LOTUS | LTS0066537 |
| wikiData | Q105322804 |