5-[2-Hydroxy-3-(10-methylhexadecoxy)propoxy]cyclopentane-1,2,3,4-tetrol
| Internal ID | 09cafeb0-2492-458e-baaa-12b6fff1f363 |
| Taxonomy | Lipids and lipid-like molecules > Glycerolipids > Glycerol ethers |
| IUPAC Name | 5-[2-hydroxy-3-(10-methylhexadecoxy)propoxy]cyclopentane-1,2,3,4-tetrol |
| SMILES (Canonical) | CCCCCCC(C)CCCCCCCCCOCC(COC1C(C(C(C1O)O)O)O)O |
| SMILES (Isomeric) | CCCCCCC(C)CCCCCCCCCOCC(COC1C(C(C(C1O)O)O)O)O |
| InChI | InChI=1S/C25H50O7/c1-3-4-5-11-14-19(2)15-12-9-7-6-8-10-13-16-31-17-20(26)18-32-25-23(29)21(27)22(28)24(25)30/h19-30H,3-18H2,1-2H3 |
| InChI Key | PBKNPWUTVIEHAJ-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C25H50O7 |
| Molecular Weight | 462.70 g/mol |
| Exact Mass | 462.35565393 g/mol |
| Topological Polar Surface Area (TPSA) | 120.00 Ų |
| XlogP | 4.70 |
| There are no found synonyms. |
![2D Structure of 5-[2-Hydroxy-3-(10-methylhexadecoxy)propoxy]cyclopentane-1,2,3,4-tetrol](https://plantaedb.com/storage/docs/compounds/2023/11/5-2-hydroxy-3-10-methylhexadecoxypropoxycyclopentane-1234-tetrol.jpg "2D Structure of 5-[2-Hydroxy-3-(10-methylhexadecoxy)propoxy]cyclopentane-1,2,3,4-tetrol")
| 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 |
|---|---|---|---|---|
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 98.63% | 97.29% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.57% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.15% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.28% | 98.95% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 95.39% | 85.94% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.91% | 99.17% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 93.31% | 92.86% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 91.35% | 87.45% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 90.96% | 100.00% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 90.56% | 90.24% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.43% | 93.56% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 89.12% | 96.00% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 87.10% | 93.31% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 86.48% | 92.88% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 85.56% | 96.47% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 85.11% | 92.08% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 84.77% | 89.05% |
| CHEMBL4333 | P21453 | Sphingosine 1-phosphate receptor Edg-1 | 84.40% | 96.99% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.08% | 95.89% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 83.53% | 91.81% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.29% | 100.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.13% | 90.17% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 80.90% | 98.03% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.75% | 97.21% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 80.64% | 95.56% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 80.47% | 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.
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| There are no matching plants. |
| PubChem | 21778555 |
| LOTUS | LTS0221845 |
| wikiData | Q105205239 |