Penostatin J
| Internal ID | 0c091ce7-7ad9-4076-b7c2-cf7579ab90cd |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Cyclic ketones > Cyclohexenones |
| IUPAC Name | (3S,4aR,9aS,9bS)-4a-hydroxy-2-methyl-3-non-1-enyl-3,9,9a,9b-tetrahydrocyclopenta[f]chromen-5-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H30O3/c1-3-4-5-6-7-8-9-13-20-16(2)14-19-18-12-10-11-17(18)15-21(23)22(19,24)25-20/h9-11,13-15,18-20,24H,3-8,12H2,1-2H3/t18-,19+,20+,22-/m1/s1 |
| InChI Key | GRTGLCHTLKJYRN-FCIYXJNOSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C22H30O3 |
| Molecular Weight | 342.50 g/mol |
| Exact Mass | 342.21949481 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 4.50 |
| (3S,4aR,9aS,9bS)-4a-hydroxy-2-methyl-3-non-1-enyl-3,9,9a,9b-tetrahydrocyclopenta(f)chromen-5-one |
| (3S,4aR,9aS,9bS)-4a-hydroxy-2-methyl-3-non-1-enyl-3,9,9a,9b-tetrahydrocyclopenta[f]chromen-5-one |
| RefChem:171261 |
| CHEBI:198264 |
| (3S,4aR,9aS,9bS)-4a-hydroxy-2-methyl-3-non-1-enyl-3,9,9a,9b-tetrahydrocyclopenta[]chromen-5-one |
| 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 | 96.91% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.44% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.60% | 94.45% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 93.26% | 89.63% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.84% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.62% | 95.56% |
| CHEMBL5979 | P05186 | Alkaline phosphatase, tissue-nonspecific isozyme | 88.61% | 85.40% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.60% | 99.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.70% | 97.09% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 86.75% | 90.08% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 86.38% | 85.94% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 86.36% | 92.08% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.87% | 89.00% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 83.91% | 92.86% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.82% | 99.23% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.05% | 93.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.64% | 94.73% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.86% | 100.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.71% | 100.00% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 80.48% | 98.03% |
| CHEMBL4105838 | Q96GG9 | DCN1-like protein 1 | 80.33% | 95.00% |
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 | 139583319 |
| LOTUS | LTS0129608 |
| wikiData | Q75059056 |