penicillenol B1
| Internal ID | c10e6c4d-e5e3-43b7-aafd-5a07c460cc8b |
| Taxonomy | Organoheterocyclic compounds > Pyrrolines |
| IUPAC Name | (5Z)-5-ethylidene-4-hydroxy-1-methyl-3-(2-methyloctanoyl)pyrrol-2-one |
| SMILES (Canonical) | CCCCCCC(C)C(=O)C1=C(C(=CC)N(C1=O)C)O |
| SMILES (Isomeric) | CCCCCCC(C)C(=O)C1=C(/C(=C/C)/N(C1=O)C)O |
| InChI | InChI=1S/C16H25NO3/c1-5-7-8-9-10-11(3)14(18)13-15(19)12(6-2)17(4)16(13)20/h6,11,19H,5,7-10H2,1-4H3/b12-6- |
| InChI Key | FRKQEEBAWRDYCO-SDQBBNPISA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C16H25NO3 |
| Molecular Weight | 279.37 g/mol |
| Exact Mass | 279.18344366 g/mol |
| Topological Polar Surface Area (TPSA) | 57.60 Ų |
| XlogP | 4.10 |
| CHEMBL496099 |
| 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 | 98.61% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 96.53% | 83.82% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 95.30% | 85.94% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.23% | 96.09% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 94.00% | 92.86% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 91.10% | 97.29% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.67% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.21% | 99.17% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 88.02% | 100.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 87.64% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.48% | 95.56% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 86.00% | 91.81% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 84.89% | 92.08% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.85% | 93.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.81% | 97.25% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 81.96% | 89.34% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.69% | 89.00% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 81.17% | 92.12% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 81.11% | 87.45% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 80.10% | 90.08% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 54685489 |
| LOTUS | LTS0100689 |
| wikiData | Q77502581 |