Penostatin A
| Internal ID | 0d78fa12-5424-4e31-96f1-835370fc3a10 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Cyclic ketones > Cyclohexenones |
| IUPAC Name | (3S,4aR,8R,9aS,9bS)-8-hydroxy-2-methyl-3-[(E)-non-1-enyl]-4a,7,8,9,9a,9b-hexahydro-3H-cyclopenta[f]chromen-5-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H32O3/c1-3-4-5-6-7-8-9-10-21-15(2)11-19-18-14-17(23)12-16(18)13-20(24)22(19)25-21/h9-11,13,17-19,21-23H,3-8,12,14H2,1-2H3/b10-9+/t17-,18+,19-,21-,22+/m0/s1 |
| InChI Key | ONCGMAFAIBLDNP-GYGBFYAFSA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C22H32O3 |
| Molecular Weight | 344.50 g/mol |
| Exact Mass | 344.23514488 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 4.30 |
| (+)-PENOSTATIN A |
| DTXSID801045467 |
| Q15425287 |
| (3S,4AR,8R,9AS,9BS)-4A,7,8,9,9A,9B-HEXAHYDRO-8-HYDROXY-2-METHYL-3-(1E)-1-NONEN-1-YLCYCLOPENTA(F)(1)BENZOPYRAN-5(3H)-ONE |
| (3S,4aR,8R,9aS,9bS)-8-hydroxy-2-methyl-3-[(E)-non-1-enyl]-4a,7,8,9,9a,9b-hexahydro-3H-cyclopenta[f]chromen-5-one |
| CYCLOPENTA(F)(1)BENZOPYRAN-5(3H)-ONE, 4A,7,8,9,9A,9B-HEXAHYDRO-8-HYDROXY-2-METHYL-3-(1-NONENYL)-, (3.ALPHA.(E),4A.ALPHA.,8.ALPHA.,9A.ALPHA.,9B.BETA.)-(+)- |
| CYCLOPENTA(F)(1)BENZOPYRAN-5(3H)-ONE, 4A,7,8,9,9A,9B-HEXAHYDRO-8-HYDROXY-2-METHYL-3-(1E)-1-NONEN-1-YL-, (3S,4AR,8R,9AS,9BS)- |
| CYCLOPENTA(F)(1)BENZOPYRAN-5(3H)-ONE, 4A,7,8,9,9A,9B-HEXAHYDRO-8-HYDROXY-2-METHYL-3-(1E)-1-NONENYL-, (3S,4AR,8R,9AS,9BS)- |
| 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 | 97.99% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.91% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.91% | 96.09% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 93.67% | 96.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.26% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.06% | 97.09% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 90.61% | 85.94% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.32% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.76% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.83% | 86.33% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 85.95% | 92.08% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 85.05% | 97.79% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.48% | 100.00% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 84.43% | 98.03% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.35% | 89.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.21% | 90.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.80% | 99.23% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.73% | 93.56% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 83.47% | 89.34% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 82.38% | 90.08% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 82.30% | 89.63% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 81.62% | 97.21% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.05% | 100.00% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 80.85% | 97.36% |
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 | 10315501 |
| LOTUS | LTS0078293 |
| wikiData | Q105194589 |