Hygrocin C
| Internal ID | bb955fa3-1c12-40a6-a3fb-cca8f7f83343 |
| Taxonomy | Phenylpropanoids and polyketides > Macrolactams |
| IUPAC Name | (9S,10E,12R,15Z,17R,24R)-9-ethyl-4,24-dihydroxy-12-(1-hydroxyethyl)-3,15-dimethyl-13-oxa-19-azatetracyclo[15.6.1.05,23.020,24]tetracosa-1(23),2,4,10,15,20-hexaene-6,14,18,22-tetrone |
| SMILES (Canonical) | CCC1CCC(=O)C2=C(C(=CC3=C2C(=O)C=C4C3(C(C=C(C(=O)OC(C=C1)C(C)O)C)C(=O)N4)O)C)O |
| SMILES (Isomeric) | CC[C@H]\1CCC(=O)C2=C(C(=CC3=C2C(=O)C=C4[C@]3([C@@H](/C=C(\C(=O)O[C@H](/C=C1)C(C)O)/C)C(=O)N4)O)C)O |
| InChI | InChI=1S/C28H31NO8/c1-5-16-6-8-19(31)24-23-17(10-13(2)25(24)33)28(36)18(26(34)29-22(28)12-20(23)32)11-14(3)27(35)37-21(9-7-16)15(4)30/h7,9-12,15-16,18,21,30,33,36H,5-6,8H2,1-4H3,(H,29,34)/b9-7+,14-11-/t15?,16-,18-,21+,28-/m0/s1 |
| InChI Key | PFWPLMVAUKIPIA-DLVYVWOQSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C28H31NO8 |
| Molecular Weight | 509.50 g/mol |
| Exact Mass | 509.20496695 g/mol |
| Topological Polar Surface Area (TPSA) | 150.00 Ų |
| XlogP | 1.80 |
| 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 | 99.23% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.99% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.44% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.43% | 85.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.13% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.71% | 97.09% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 91.21% | 96.47% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 90.94% | 85.11% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 90.64% | 93.99% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.53% | 96.09% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 88.64% | 96.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 88.52% | 93.03% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.04% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.96% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.94% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.72% | 95.89% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 87.39% | 96.21% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 86.06% | 93.40% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 85.57% | 93.18% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.64% | 99.15% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 83.65% | 93.04% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 83.17% | 83.10% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.16% | 94.75% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.15% | 90.71% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 83.08% | 89.63% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.08% | 93.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.54% | 86.33% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.85% | 97.25% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 81.07% | 90.08% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 80.73% | 88.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.32% | 92.62% |
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.
| Mesua ferrea |
| PubChem | 139585109 |
| LOTUS | LTS0076598 |
| wikiData | Q105116667 |