(E,8S)-9-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide
| Internal ID | c4aac5c1-ab73-4ee8-8c8a-47c83e107e2b |
| Taxonomy | Benzenoids > Phenols > Methoxyphenols |
| IUPAC Name | (E,8S)-9-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide |
| SMILES (Canonical) | CC(CO)C=CCCCCC(=O)NCC1=CC(=C(C=C1)O)OC |
| SMILES (Isomeric) | C[C@H](CO)/C=C/CCCCC(=O)NCC1=CC(=C(C=C1)O)OC |
| InChI | InChI=1S/C18H27NO4/c1-14(13-20)7-5-3-4-6-8-18(22)19-12-15-9-10-16(21)17(11-15)23-2/h5,7,9-11,14,20-21H,3-4,6,8,12-13H2,1-2H3,(H,19,22)/b7-5+/t14-/m0/s1 |
| InChI Key | OCVIWAFGWPJVGZ-DYLGSBMWSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H27NO4 |
| Molecular Weight | 321.40 g/mol |
| Exact Mass | 321.19400834 g/mol |
| Topological Polar Surface Area (TPSA) | 78.80 Ų |
| XlogP | 2.40 |
| There are no found synonyms. |
![2D Structure of (E,8S)-9-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide](https://plantaedb.com/storage/docs/compounds/2023/11/e8s-9-hydroxy-n-4-hydroxy-3-methoxyphenylmethyl-8-methylnon-6-enamide.jpg "2D Structure of (E,8S)-9-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide")
| 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 | 99.51% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 99.20% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 99.00% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.55% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.13% | 94.45% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 94.90% | 90.20% |
| CHEMBL2535 | P11166 | Glucose transporter | 94.87% | 98.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.09% | 95.56% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 89.24% | 95.50% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 89.02% | 90.24% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 88.84% | 97.29% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 88.53% | 92.88% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.84% | 96.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.39% | 90.71% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.64% | 99.15% |
| CHEMBL5701 | Q9H2K8 | Serine/threonine-protein kinase TAO3 | 84.85% | 96.67% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 84.57% | 98.11% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.45% | 90.00% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 83.88% | 89.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.53% | 91.19% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 81.81% | 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.
| Capsicum annuum |
| PubChem | 96361209 |
| LOTUS | LTS0092423 |
| wikiData | Q105189620 |