Haterumaimide F
| Internal ID | dd0e1467-b1b9-4de3-b694-a0dcd7435ada |
| Taxonomy | Organoheterocyclic compounds > Pyrrolidines > Pyrrolidones > Pyrrolidine-2-ones |
| IUPAC Name | (3R)-3-[(1S)-2-[(1S,4R,4aS,7S,8aR)-7-chloro-4-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-1-hydroxyethyl]pyrrolidine-2,5-dione |
| SMILES (Canonical) | CC1(CC(CC2(C1C(CC(=C)C2CC(C3CC(=O)NC3=O)O)O)C)Cl)C |
| SMILES (Isomeric) | C[C@]12C[C@H](CC([C@@H]1[C@@H](CC(=C)[C@@H]2C[C@@H]([C@H]3CC(=O)NC3=O)O)O)(C)C)Cl |
| InChI | InChI=1S/C20H30ClNO4/c1-10-5-15(24)17-19(2,3)8-11(21)9-20(17,4)13(10)7-14(23)12-6-16(25)22-18(12)26/h11-15,17,23-24H,1,5-9H2,2-4H3,(H,22,25,26)/t11-,12+,13-,14-,15+,17-,20+/m0/s1 |
| InChI Key | ILPIGMAGHRKRKI-WMRABNJFSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H30ClNO4 |
| Molecular Weight | 383.90 g/mol |
| Exact Mass | 383.1863361 g/mol |
| Topological Polar Surface Area (TPSA) | 86.60 Ų |
| XlogP | 2.50 |
| CHEMBL465665 |
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.43% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.71% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.98% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.61% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.76% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.08% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.78% | 90.17% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 88.06% | 89.34% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.83% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.59% | 97.09% |
| CHEMBL4073 | P09237 | Matrix metalloproteinase 7 | 81.70% | 97.56% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.62% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.52% | 95.89% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 80.74% | 96.61% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 80.45% | 90.08% |
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 | 10475085 |
| LOTUS | LTS0082288 |
| wikiData | Q105115358 |