1-[4-Hydroxy-3-(hydroxymethyl)phenyl]tetradec-4-en-3-one
| Internal ID | 1b7a84b2-db1a-463c-8a77-ea167734ab7c |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzyl alcohols |
| IUPAC Name | 1-[4-hydroxy-3-(hydroxymethyl)phenyl]tetradec-4-en-3-one |
| SMILES (Canonical) | CCCCCCCCCC=CC(=O)CCC1=CC(=C(C=C1)O)CO |
| SMILES (Isomeric) | CCCCCCCCCC=CC(=O)CCC1=CC(=C(C=C1)O)CO |
| InChI | InChI=1S/C21H32O3/c1-2-3-4-5-6-7-8-9-10-11-20(23)14-12-18-13-15-21(24)19(16-18)17-22/h10-11,13,15-16,22,24H,2-9,12,14,17H2,1H3 |
| InChI Key | OAHWPNUPCSDOGU-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H32O3 |
| Molecular Weight | 332.50 g/mol |
| Exact Mass | 332.23514488 g/mol |
| Topological Polar Surface Area (TPSA) | 57.50 Ų |
| XlogP | 6.20 |
| There are no found synonyms. |
![2D Structure of 1-[4-Hydroxy-3-(hydroxymethyl)phenyl]tetradec-4-en-3-one](https://plantaedb.com/storage/docs/compounds/2023/11/1-4-hydroxy-3-hydroxymethylphenyltetradec-4-en-3-one.jpg "2D Structure of 1-[4-Hydroxy-3-(hydroxymethyl)phenyl]tetradec-4-en-3-one")
| 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 |
|---|---|---|---|---|
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.90% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.79% | 91.11% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 96.82% | 92.08% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.15% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.20% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.45% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.87% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.41% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.36% | 86.33% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 86.70% | 100.00% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 85.04% | 91.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.63% | 89.00% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 84.28% | 97.00% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 83.84% | 97.29% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.08% | 96.95% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.20% | 95.50% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 82.03% | 89.63% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 81.99% | 96.37% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.44% | 90.71% |
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.
| Zingiber officinale |
| PubChem | 163009205 |
| LOTUS | LTS0159826 |
| wikiData | Q105188669 |