Defumarylhygrolidin
| Internal ID | e596325c-6cbb-42ef-b16a-fda0935e1ffc |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | (3E,5E,11E,13E)-16-[4-(6-ethyl-2-hydroxy-5-methyloxan-2-yl)-3-hydroxypentan-2-yl]-8-hydroxy-15-methoxy-3,5,7,9,11-pentamethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C34H56O7/c1-11-28-22(4)15-16-34(38,41-28)27(9)31(36)26(8)32-29(39-10)14-12-13-20(2)17-23(5)30(35)24(6)18-21(3)19-25(7)33(37)40-32/h12-14,18-19,22-24,26-32,35-36,38H,11,15-17H2,1-10H3/b14-12+,20-13+,21-18+,25-19+ |
| InChI Key | BGFRYHHMLJUGPD-GWYBLXDQSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C34H56O7 |
| Molecular Weight | 576.80 g/mol |
| Exact Mass | 576.40260412 g/mol |
| Topological Polar Surface Area (TPSA) | 105.00 Ų |
| XlogP | 6.80 |
| RefChem:919763 |
| 90965-58-5 |
| Hygrolidin, 21-O-de(3-carboxy-1-oxo-2-propenyl)-, (11beta,17beta)- |
| CHEBI:225013 |
| (3E,5E,11E,13E)-16-[4-(6-ethyl-2-hydroxy-5-methyloxan-2-yl)-3-hydroxypentan-2-yl]-8-hydroxy-15-methoxy-3,5,7,9,11-pentamethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one |
| 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 | 99.24% | 85.14% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.53% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.06% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.74% | 91.11% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 95.53% | 96.61% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 93.83% | 94.80% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.40% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.91% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.23% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.05% | 94.45% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 88.78% | 97.05% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.66% | 99.23% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.38% | 97.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.36% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.27% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.82% | 92.62% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.34% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.27% | 86.33% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.28% | 93.03% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 81.77% | 97.33% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 80.14% | 86.00% |
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 | 139589315 |
| LOTUS | LTS0028629 |
| wikiData | Q104935498 |