Nordihydrocapsiate
| Internal ID | 0c7d5b0c-2894-42ec-b1c5-5ffc0f5a9b89 |
| Taxonomy | Benzenoids > Phenols > Methoxyphenols |
| IUPAC Name | (4-hydroxy-3-methoxyphenyl)methyl 7-methyloctanoate |
| SMILES (Canonical) | CC(C)CCCCCC(=O)OCC1=CC(=C(C=C1)O)OC |
| SMILES (Isomeric) | CC(C)CCCCCC(=O)OCC1=CC(=C(C=C1)O)OC |
| InChI | InChI=1S/C17H26O4/c1-13(2)7-5-4-6-8-17(19)21-12-14-9-10-15(18)16(11-14)20-3/h9-11,13,18H,4-8,12H2,1-3H3 |
| InChI Key | BXBVPYSHEOQGHP-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C17H26O4 |
| Molecular Weight | 294.40 g/mol |
| Exact Mass | 294.18310931 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 4.50 |
| 220012-53-3 |
| 4-Hydroxy-3-methoxybenzyl 7-methyloctanoate |
| (4-HYDROXY-3-METHOXYPHENYL)METHYL 7-METHYLOCTANOATE |
| 4S73H45T4T |
| Octanoic acid, 7-methyl-, (4-hydroxy-3-methoxyphenyl)methyl ester |
| UNII-4S73H45T4T |
| SCHEMBL1586484 |
| DTXSID80176439 |
| CHEBI:174795 |
| MFCD28137841 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 98.83% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 98.48% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.86% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.31% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.75% | 94.45% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.92% | 90.71% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 88.99% | 85.31% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.79% | 99.15% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.76% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.55% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.24% | 95.56% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.68% | 95.89% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.32% | 95.50% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.41% | 89.62% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.17% | 96.00% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 81.09% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.88% | 91.19% |
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 | 9817607 |
| LOTUS | LTS0226667 |
| wikiData | Q27260415 |