(3Z)-3-[[2-[(3E,5E)-2,8-dihydroxy-7-methyldeca-3,5-dienyl]-1,6,8-trimethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-hydroxymethylidene]pyrrolidine-2,4-dione
| Internal ID | a52daca7-8e04-452f-9ecd-faf7d4532e38 |
| Taxonomy | Organoheterocyclic compounds > Pyrrolidines > Pyrrolidones > Pyrrolidine-3-ones |
| IUPAC Name | (3Z)-3-[[2-[(3E,5E)-2,8-dihydroxy-7-methyldeca-3,5-dienyl]-1,6,8-trimethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-hydroxymethylidene]pyrrolidine-2,4-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C29H43NO5/c1-6-23(32)18(3)9-7-8-10-22(31)15-21-12-11-20-14-17(2)13-19(4)26(20)29(21,5)27(34)25-24(33)16-30-28(25)35/h7-12,17-23,26,31-32,34H,6,13-16H2,1-5H3,(H,30,35)/b9-7+,10-8+,27-25- |
| InChI Key | WIRHXGKLHQEIEM-MOROLAGTSA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C29H43NO5 |
| Molecular Weight | 485.70 g/mol |
| Exact Mass | 485.31412347 g/mol |
| Topological Polar Surface Area (TPSA) | 107.00 Ų |
| XlogP | 5.50 |
| There are no found synonyms. |
![2D Structure of (3Z)-3-[[2-[(3E,5E)-2,8-dihydroxy-7-methyldeca-3,5-dienyl]-1,6,8-trimethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-hydroxymethylidene]pyrrolidine-2,4-dione](https://plantaedb.com/storage/docs/compounds/2023/11/delaminomycin-c.jpg "2D Structure of (3Z)-3-[[2-[(3E,5E)-2,8-dihydroxy-7-methyldeca-3,5-dienyl]-1,6,8-trimethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-hydroxymethylidene]pyrrolidine-2,4-dione")
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 99.50% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.80% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.60% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.09% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.00% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.91% | 86.33% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 90.83% | 100.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 88.95% | 89.34% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.89% | 99.23% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.94% | 93.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.49% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.41% | 97.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.15% | 94.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.10% | 95.56% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.77% | 93.03% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.20% | 89.00% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 81.93% | 92.88% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.90% | 82.69% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.35% | 91.07% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.66% | 96.47% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 80.38% | 83.82% |
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 | 54717189 |
| LOTUS | LTS0058697 |
| wikiData | Q105306460 |