Penicillenol D
| Internal ID | 0b82b1a4-eb33-4057-a696-056db20be2f5 |
| Taxonomy | Organoheterocyclic compounds > Pyrrolines |
| IUPAC Name | 5-ethyl-4,5-dihydroxy-1-methyl-3-(2-methylnonanoyl)pyrrol-2-one |
| SMILES (Canonical) | CCCCCCCC(C)C(=O)C1=C(C(N(C1=O)C)(CC)O)O |
| SMILES (Isomeric) | CCCCCCCC(C)C(=O)C1=C(C(N(C1=O)C)(CC)O)O |
| InChI | InChI=1S/C17H29NO4/c1-5-7-8-9-10-11-12(3)14(19)13-15(20)17(22,6-2)18(4)16(13)21/h12,20,22H,5-11H2,1-4H3 |
| InChI Key | XEZMTXQPEIFRBA-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C17H29NO4 |
| Molecular Weight | 311.40 g/mol |
| Exact Mass | 311.20965841 g/mol |
| Topological Polar Surface Area (TPSA) | 77.80 Ų |
| XlogP | 3.90 |
| 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 | 98.23% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.46% | 96.09% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 94.60% | 92.86% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 90.14% | 85.94% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.85% | 97.25% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.00% | 93.56% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 88.23% | 97.29% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 88.17% | 91.81% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.01% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.80% | 95.56% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 85.48% | 100.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 82.67% | 83.82% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 82.59% | 90.08% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 81.75% | 100.00% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 81.20% | 92.12% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.13% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.53% | 99.17% |
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 | 78210124 |
| LOTUS | LTS0185884 |
| wikiData | Q104200918 |