Pyrinodemin A
| Internal ID | a422c09b-02a9-4599-a335-59e696093d13 |
| Taxonomy | Organoheterocyclic compounds > Pyridines and derivatives |
| IUPAC Name | (3S,3aS,6aR)-3-(8-pyridin-3-yloctyl)-1-[(Z)-14-pyridin-3-yltetradec-6-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[c][1,2]oxazole |
| SMILES (Canonical) | C1CC2C(C1)N(OC2CCCCCCCCC3=CN=CC=C3)CCCCCC=CCCCCCCCC4=CN=CC=C4 |
| SMILES (Isomeric) | C1C[C@H]2[C@@H](C1)N(O[C@H]2CCCCCCCCC3=CN=CC=C3)CCCCC/C=C\CCCCCCCC4=CN=CC=C4 |
| InChI | InChI=1S/C38H59N3O/c1(3-5-7-11-15-22-34-24-20-29-39-32-34)2-4-6-10-14-18-31-41-37-27-19-26-36(37)38(42-41)28-17-13-9-8-12-16-23-35-25-21-30-40-33-35/h2,4,20-21,24-25,29-30,32-33,36-38H,1,3,5-19,22-23,26-28,31H2/b4-2-/t36-,37+,38-/m0/s1 |
| InChI Key | RNXHTUOLBPFOMG-YODGPZKVSA-N |
| Popularity | 6 references in papers |
| Molecular Formula | C38H59N3O |
| Molecular Weight | 573.90 g/mol |
| Exact Mass | 573.46581351 g/mol |
| Topological Polar Surface Area (TPSA) | 38.20 Ų |
| XlogP | 11.70 |
| (3S,3aS,6aR)-3-(8-pyridin-3-yloctyl)-1-[(Z)-14-pyridin-3-yltetradec-6-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[c][1,2]oxazole |
| 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 | 95.40% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.29% | 96.09% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 94.22% | 96.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.26% | 94.45% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 90.83% | 97.05% |
| CHEMBL1075145 | P55072 | Transitional endoplasmic reticulum ATPase | 89.16% | 98.50% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 89.08% | 95.93% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 87.97% | 99.18% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.37% | 95.89% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 85.05% | 91.38% |
| CHEMBL3891 | P07384 | Calpain 1 | 84.97% | 93.04% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 84.01% | 95.17% |
| CHEMBL3975 | P09467 | Fructose-1,6-bisphosphatase | 83.51% | 92.95% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 82.66% | 97.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.57% | 99.17% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.14% | 100.00% |
| CHEMBL2492 | P36544 | Neuronal acetylcholine receptor protein alpha-7 subunit | 82.10% | 88.42% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 81.53% | 98.33% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.66% | 86.33% |
| CHEMBL5678 | P34947 | G protein-coupled receptor kinase 5 | 80.56% | 88.00% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 80.51% | 94.66% |
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 | 11731488 |
| LOTUS | LTS0129308 |
| wikiData | Q105241897 |