penicillenol A2
| Internal ID | 7f422ebb-1897-45e6-974b-ca98e6d9b3f4 |
| Taxonomy | Organoheterocyclic compounds > Pyrrolidines > N-alkylpyrrolidines |
| IUPAC Name | (3Z,5R)-5-(1-hydroxyethyl)-3-(1-hydroxy-2-methyloctylidene)-1-methylpyrrolidine-2,4-dione |
| SMILES (Canonical) | CCCCCCC(C)C(=C1C(=O)C(N(C1=O)C)C(C)O)O |
| SMILES (Isomeric) | CCCCCCC(C)/C(=C/1\C(=O)[C@H](N(C1=O)C)C(C)O)/O |
| InChI | InChI=1S/C16H27NO4/c1-5-6-7-8-9-10(2)14(19)12-15(20)13(11(3)18)17(4)16(12)21/h10-11,13,18-19H,5-9H2,1-4H3/b14-12-/t10?,11?,13-/m1/s1 |
| InChI Key | KWUIFAHSOVLDLQ-PKLLGXBMSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C16H27NO4 |
| Molecular Weight | 297.39 g/mol |
| Exact Mass | 297.19400834 g/mol |
| Topological Polar Surface Area (TPSA) | 77.80 Ų |
| XlogP | 3.40 |
| 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 | 99.13% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 98.75% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.04% | 96.09% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 94.33% | 97.29% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.13% | 97.25% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.58% | 93.56% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 89.51% | 100.00% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 89.19% | 92.86% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 87.93% | 92.08% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.48% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.82% | 90.71% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 86.17% | 85.94% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.78% | 99.17% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.40% | 96.47% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.10% | 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.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 135017477 |
| LOTUS | LTS0219761 |
| wikiData | Q105147110 |