Didymellamide C
| Internal ID | 52eae6d6-cb96-45f4-9760-9f59b93526a6 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Aryl ketones > Aryl alkyl ketones |
| IUPAC Name | 3-[(1R,2R,4aS,6R,8aR)-2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-4-hydroxy-5-(1-hydroxy-4-oxocyclohex-2-en-1-yl)-1H-pyridin-2-one |
| SMILES (Canonical) | CC1CCC2C(C1)C=CC(C2C(=O)C3=C(C(=CNC3=O)C4(CCC(=O)C=C4)O)O)C |
| SMILES (Isomeric) | C[C@@H]1CC[C@@H]2[C@@H](C1)C=C[C@H]([C@H]2C(=O)C3=C(C(=CNC3=O)C4(CCC(=O)C=C4)O)O)C |
| InChI | InChI=1S/C24H29NO5/c1-13-3-6-17-15(11-13)5-4-14(2)19(17)22(28)20-21(27)18(12-25-23(20)29)24(30)9-7-16(26)8-10-24/h4-5,7,9,12-15,17,19,30H,3,6,8,10-11H2,1-2H3,(H2,25,27,29)/t13-,14-,15-,17-,19-,24?/m1/s1 |
| InChI Key | JKXALCZFBIKVEQ-ZOJOTGHDSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C24H29NO5 |
| Molecular Weight | 411.50 g/mol |
| Exact Mass | 411.20457303 g/mol |
| Topological Polar Surface Area (TPSA) | 104.00 Ų |
| XlogP | 2.60 |
| CHEMBL2333095 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.36% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.50% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.62% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 93.57% | 100.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 92.14% | 92.94% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.14% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.07% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.06% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.02% | 94.45% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 85.71% | 98.03% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.46% | 89.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.11% | 90.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 84.08% | 93.04% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 83.94% | 97.79% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 82.28% | 95.62% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.17% | 82.69% |
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 | 71665543 |
| LOTUS | LTS0073049 |
| wikiData | Q77385370 |