(1S,2E,5E,8R,9S)-9-[(1R)-1,5-dimethylhex-4-enyl]-8-hydroxy-6-methyl-cyclonona-2,5-diene-1,2-dicarbaldehyde
| Internal ID | 7c715f61-91fa-4fcd-83a9-a2d0e26efbd7 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Secondary alcohols |
| IUPAC Name | (1S,2E,5E,8R,9S)-8-hydroxy-6-methyl-9-[(2R)-6-methylhept-5-en-2-yl]cyclonona-2,5-diene-1,2-dicarbaldehyde |
| SMILES (Canonical) | CC1=CCC=C(C(C(C(C1)O)C(C)CCC=C(C)C)C=O)C=O |
| SMILES (Isomeric) | C/C/1=C\C/C=C(\[C@H]([C@@H]([C@@H](C1)O)[C@H](C)CCC=C(C)C)C=O)/C=O |
| InChI | InChI=1S/C20H30O3/c1-14(2)7-5-9-16(4)20-18(13-22)17(12-21)10-6-8-15(3)11-19(20)23/h7-8,10,12-13,16,18-20,23H,5-6,9,11H2,1-4H3/b15-8+,17-10-/t16-,18-,19-,20+/m1/s1 |
| InChI Key | NGHFQFIGCIVZAK-MOJPMCHASA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H30O3 |
| Molecular Weight | 318.40 g/mol |
| Exact Mass | 318.21949481 g/mol |
| Topological Polar Surface Area (TPSA) | 54.40 Ų |
| XlogP | 3.70 |
| (1S,2E,5E,8R,9S)-9-[(1R)-1,5-dimethylhex-4-enyl]-8-hydroxy-6-methyl-cyclonona-2,5-diene-1,2-dicarbaldehyde |
![2D Structure of (1S,2E,5E,8R,9S)-9-[(1R)-1,5-dimethylhex-4-enyl]-8-hydroxy-6-methyl-cyclonona-2,5-diene-1,2-dicarbaldehyde](https://plantaedb.com/storage/docs/compounds/2023/11/b11863e0-8618-11ee-bc2c-a53701b543fa.jpg "2D Structure of (1S,2E,5E,8R,9S)-9-[(1R)-1,5-dimethylhex-4-enyl]-8-hydroxy-6-methyl-cyclonona-2,5-diene-1,2-dicarbaldehyde")
| 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 | 96.46% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.03% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.20% | 94.73% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.22% | 91.11% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.76% | 93.56% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.13% | 95.56% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 83.38% | 89.34% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.79% | 95.89% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.76% | 90.71% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.73% | 90.17% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 118720810 |
| LOTUS | LTS0107893 |
| wikiData | Q105178926 |