Erythronolide I
| Internal ID | 03fb05ce-9b5f-4e51-80ae-24ca5a2ee82f |
| Taxonomy | Organoheterocyclic compounds > Pyrans > Pyranones and derivatives > Dihydropyranones |
| IUPAC Name | (2R,3S)-2-[(2R,3R,4R,5S,7R,9R)-3-hydroxy-2-[(1R)-1-hydroxypropyl]-2,4,7,9-tetramethyl-1,6-dioxaspiro[4.4]nonan-7-yl]-3,5-dimethyl-2,3-dihydropyran-6-one |
| SMILES (Canonical) | CCC(C1(C(C(C2(O1)C(CC(O2)(C)C3C(C=C(C(=O)O3)C)C)C)C)O)C)O |
| SMILES (Isomeric) | CC[C@H]([C@@]1([C@@H]([C@H]([C@@]2(O1)[C@@H](C[C@](O2)(C)[C@H]3[C@H](C=C(C(=O)O3)C)C)C)C)O)C)O |
| InChI | InChI=1S/C21H34O6/c1-8-15(22)20(7)16(23)14(5)21(27-20)13(4)10-19(6,26-21)17-11(2)9-12(3)18(24)25-17/h9,11,13-17,22-23H,8,10H2,1-7H3/t11-,13+,14+,15+,16+,17+,19+,20+,21-/m0/s1 |
| InChI Key | PUWSWDPZBXOVMY-BHHRPFDZSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C21H34O6 |
| Molecular Weight | 382.50 g/mol |
| Exact Mass | 382.23553880 g/mol |
| Topological Polar Surface Area (TPSA) | 85.20 Ų |
| XlogP | 3.30 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.81% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 95.54% | 90.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.90% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.68% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.07% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.33% | 97.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.21% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.93% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.32% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.29% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.14% | 99.23% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.13% | 96.47% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.57% | 97.14% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 82.34% | 93.99% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 81.58% | 97.79% |
| CHEMBL1871 | P10275 | Androgen Receptor | 81.27% | 96.43% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.27% | 96.95% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.88% | 94.75% |
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 | 101462360 |
| LOTUS | LTS0200438 |
| wikiData | Q77279123 |