4-(2-Hydroxyheptadec-10-enyl)cyclohex-5-ene-1,2,4-triol
| Internal ID | 4b5fe21d-cc75-49a6-8a60-1a1b6366e21d |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Long-chain fatty alcohols |
| IUPAC Name | 4-(2-hydroxyheptadec-10-enyl)cyclohex-5-ene-1,2,4-triol |
| SMILES (Canonical) | CCCCCCC=CCCCCCCCC(CC1(CC(C(C=C1)O)O)O)O |
| SMILES (Isomeric) | CCCCCCC=CCCCCCCCC(CC1(CC(C(C=C1)O)O)O)O |
| InChI | InChI=1S/C23H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(24)18-23(27)17-16-21(25)22(26)19-23/h7-8,16-17,20-22,24-27H,2-6,9-15,18-19H2,1H3 |
| InChI Key | GPQHXYCUPVMFQJ-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C23H42O4 |
| Molecular Weight | 382.60 g/mol |
| Exact Mass | 382.30830982 g/mol |
| Topological Polar Surface Area (TPSA) | 80.90 Ų |
| XlogP | 5.80 |
| There are no found synonyms. |
| 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 | 97.63% | 96.09% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 96.78% | 89.63% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 96.75% | 92.86% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.05% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.98% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.58% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.99% | 99.17% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.65% | 90.17% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 91.64% | 97.29% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.40% | 93.56% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 89.07% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.13% | 97.09% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 87.70% | 92.08% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.70% | 85.14% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 86.07% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.55% | 89.00% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 85.38% | 91.81% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 85.09% | 98.03% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.29% | 94.75% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.72% | 96.47% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 83.52% | 94.66% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 82.23% | 90.08% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 81.02% | 97.50% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.80% | 100.00% |
| CHEMBL268 | P43235 | Cathepsin K | 80.51% | 96.85% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.08% | 97.21% |
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 | 74817439 |
| LOTUS | LTS0196025 |
| wikiData | Q105015050 |