Penicillenol C1
| Internal ID | 6b1a5d9b-e16a-42a6-a6e9-20dfa7e3eee4 |
| Taxonomy | Organoheterocyclic compounds > Pyrrolidines > N-alkylpyrrolidines |
| IUPAC Name | (3Z,5S)-5-(1-hydroxyethyl)-3-[(E)-1-hydroxy-2-methyloct-6-enylidene]-1-methylpyrrolidine-2,4-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C16H25NO4/c1-5-6-7-8-9-10(2)14(19)12-15(20)13(11(3)18)17(4)16(12)21/h5-6,10-11,13,18-19H,7-9H2,1-4H3/b6-5+,14-12-/t10?,11?,13-/m0/s1 |
| InChI Key | DRDBTDHUTFJYHV-PZMARAHQSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C16H25NO4 |
| Molecular Weight | 295.37 g/mol |
| Exact Mass | 295.17835828 g/mol |
| Topological Polar Surface Area (TPSA) | 77.80 Ų |
| XlogP | 3.10 |
| (3Z,5S)-5-(1-hydroxyethyl)-3-((E)-1-hydroxy-2-methyloct-6-enylidene)-1-methylpyrrolidine-2,4-dione |
| (3Z,5S)-5-(1-hydroxyethyl)-3-[(E)-1-hydroxy-2-methyloct-6-enylidene]-1-methylpyrrolidine-2,4-dione |
| RefChem:170899 |
| (3E,5R)-5-((1R)-1-hydroxyethyl)-1-methyl-3-((E,3R)-3-methylnon-7-en-2-ylidene)pyrrolidine-2,4-dione |
| 1039041-80-9 |
| CHEMBL5414285 |
| CHEBI:217066 |
| 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 | 97.89% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.06% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.58% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.87% | 99.17% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.41% | 90.71% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 86.25% | 83.82% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.79% | 96.47% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.90% | 93.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.28% | 94.75% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.24% | 93.00% |
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 | 135550825 |
| LOTUS | LTS0101441 |
| wikiData | Q105104290 |