2-(7-Cyano-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6-dien-2-yl)-1-methylcyclopropane-1-carboxylic acid
| Internal ID | 8fc15068-7bd0-4c74-ad01-202162b755b6 |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | 2-(7-cyano-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6-dien-2-yl)-1-methylcyclopropane-1-carboxylic acid |
| SMILES (Canonical) | CC1CC(CC(C(C(=CC=CCC(OC(=O)CC(C(C1)C)O)C2CC2(C)C(=O)O)C#N)O)C)C |
| SMILES (Isomeric) | CC1CC(CC(C(C(=CC=CCC(OC(=O)CC(C(C1)C)O)C2CC2(C)C(=O)O)C#N)O)C)C |
| InChI | InChI=1S/C27H41NO6/c1-16-10-17(2)12-19(4)25(31)20(15-28)8-6-7-9-23(21-14-27(21,5)26(32)33)34-24(30)13-22(29)18(3)11-16/h6-8,16-19,21-23,25,29,31H,9-14H2,1-5H3,(H,32,33) |
| InChI Key | UDZICKVESDOJCX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H41NO6 |
| Molecular Weight | 475.60 g/mol |
| Exact Mass | 475.29338803 g/mol |
| Topological Polar Surface Area (TPSA) | 128.00 Ų |
| XlogP | 5.00 |
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.29% | 83.82% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.79% | 85.14% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.84% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.70% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.43% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.49% | 99.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.34% | 94.45% |
| CHEMBL1871 | P10275 | Androgen Receptor | 88.87% | 96.43% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.21% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.14% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.27% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.05% | 95.56% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.64% | 96.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.24% | 91.19% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.53% | 95.50% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.50% | 100.00% |
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.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 162968519 |
| LOTUS | LTS0192976 |
| wikiData | Q105270712 |