(+/-)-conipyrrolidone D
| Internal ID | c27ce168-364a-4d90-828c-32b0e4b58ae0 |
| Taxonomy | Benzenoids > Phenols > 1-hydroxy-2-unsubstituted benzenoids |
| IUPAC Name | 3-[(1R,2S,4aR,8aR)-2,6-dimethyl-1,2,4a,5,8,8a-hexahydronaphthalene-1-carbonyl]-4-hydroxy-5-[(4-hydroxyphenyl)methylidene]pyrrol-2-one |
| SMILES (Canonical) | CC1C=CC2CC(=CCC2C1C(=O)C3=C(C(=CC4=CC=C(C=C4)O)NC3=O)O)C |
| SMILES (Isomeric) | C[C@H]1C=C[C@H]2CC(=CC[C@H]2[C@@H]1C(=O)C3=C(C(=CC4=CC=C(C=C4)O)NC3=O)O)C |
| InChI | InChI=1S/C24H25NO4/c1-13-3-10-18-16(11-13)7-4-14(2)20(18)23(28)21-22(27)19(25-24(21)29)12-15-5-8-17(26)9-6-15/h3-9,12,14,16,18,20,26-27H,10-11H2,1-2H3,(H,25,29)/t14-,16-,18+,20+/m0/s1 |
| InChI Key | PGZBSQFNTVASLO-LBLLVPRASA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C24H25NO4 |
| Molecular Weight | 391.50 g/mol |
| Exact Mass | 391.17835828 g/mol |
| Topological Polar Surface Area (TPSA) | 86.60 Ų |
| XlogP | 3.80 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.74% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.18% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.64% | 95.56% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 91.07% | 85.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.26% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.01% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.38% | 97.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.94% | 90.71% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 87.29% | 90.93% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.11% | 97.25% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.44% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.38% | 86.33% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.76% | 91.07% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 82.24% | 85.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.13% | 94.45% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.03% | 93.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 81.95% | 94.80% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.67% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.79% | 93.56% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 80.56% | 91.71% |
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 | 139591409 |
| LOTUS | LTS0205115 |
| wikiData | Q105208805 |