Hygrocin B
| Internal ID | ffc7e3d1-9553-47a8-85c7-b9650e39fcb8 |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | (10E,12S,13S,16S)-9-ethyl-4,12-dihydroxy-3,13,16-trimethyl-14-oxa-20-azatetracyclo[19.3.1.05,24.016,22]pentacosa-1(24),2,4,10,17,21-hexaene-6,15,19,23,25-pentone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H29NO8/c1-5-15-6-8-17(30)14(3)37-27(36)28(4)11-10-19(32)29-23-22(28)26(35)20-16(25(23)34)12-13(2)24(33)21(20)18(31)9-7-15/h6,8,10-12,14-15,17,30,33H,5,7,9H2,1-4H3,(H,29,32)/b8-6+/t14-,15?,17-,28-/m0/s1 |
| InChI Key | YCXQGZJYZGFQSB-AMMLVUSNSA-N |
| Popularity | 6 references in papers |
| Molecular Formula | C28H29NO8 |
| Molecular Weight | 507.50 g/mol |
| Exact Mass | 507.18931688 g/mol |
| Topological Polar Surface Area (TPSA) | 147.00 Ų |
| XlogP | 3.30 |
| CHEMBL518225 |
| (10E,12S,13S,16S)-9-ethyl-4,12-dihydroxy-3,13,16-trimethyl-14-oxa-20-azatetracyclo[19.3.1.05,24.016,22]pentacosa-1(24),2,4,10,17,21-hexaene-6,15,19,23,25-pentone |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.33% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.79% | 91.11% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 94.26% | 96.38% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.17% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.31% | 95.56% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 93.10% | 96.21% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.76% | 99.23% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.73% | 100.00% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 91.23% | 96.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.37% | 94.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.47% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.04% | 95.89% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 87.01% | 85.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.88% | 97.09% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 86.59% | 93.03% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.34% | 92.94% |
| CHEMBL2073 | P07947 | Tyrosine-protein kinase YES | 84.51% | 83.14% |
| CHEMBL4361 | Q07820 | Induced myeloid leukemia cell differentiation protein Mcl-1 | 83.64% | 95.52% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.92% | 91.07% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.45% | 90.71% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 5326384 |
| LOTUS | LTS0183837 |
| wikiData | Q105346572 |