(4S,6R)-4,6-dihydroxy-6-[(Z,2S)-2-hydroxyheptadec-10-enyl]cyclohex-2-en-1-one
| Internal ID | 6461533a-c212-4aa9-97d2-e27f290b795d |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Long-chain fatty alcohols |
| IUPAC Name | (4S,6R)-4,6-dihydroxy-6-[(Z,2S)-2-hydroxyheptadec-10-enyl]cyclohex-2-en-1-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(24)18-23(27)19-21(25)16-17-22(23)26/h7-8,16-17,20-21,24-25,27H,2-6,9-15,18-19H2,1H3/b8-7-/t20-,21+,23+/m0/s1 |
| InChI Key | NPJCCEQGXKZBJM-GXTANTEJSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C23H40O4 |
| Molecular Weight | 380.60 g/mol |
| Exact Mass | 380.29265975 g/mol |
| Topological Polar Surface Area (TPSA) | 77.80 Ų |
| XlogP | 6.20 |
| There are no found synonyms. |
![2D Structure of (4S,6R)-4,6-dihydroxy-6-[(Z,2S)-2-hydroxyheptadec-10-enyl]cyclohex-2-en-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/4s6r-46-dihydroxy-6-z2s-2-hydroxyheptadec-10-enylcyclohex-2-en-1-one.jpg "2D Structure of (4S,6R)-4,6-dihydroxy-6-[(Z,2S)-2-hydroxyheptadec-10-enyl]cyclohex-2-en-1-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.77% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.04% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.68% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.56% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.09% | 99.17% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 92.55% | 92.86% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 90.29% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.72% | 94.45% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 89.68% | 97.29% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.54% | 93.56% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.83% | 95.56% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 88.64% | 92.08% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 88.51% | 89.63% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 87.71% | 100.00% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 86.95% | 85.94% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 86.44% | 98.03% |
| CHEMBL4105838 | Q96GG9 | DCN1-like protein 1 | 85.70% | 95.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.73% | 97.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.66% | 90.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.07% | 89.00% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 82.94% | 91.81% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.77% | 90.71% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 82.32% | 89.34% |
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.
| Tapirira guianensis |
| PubChem | 163027300 |
| LOTUS | LTS0082543 |
| wikiData | Q105183042 |