4-Hydroxy-10-(hydroxymethyl)-2,6,14-trimethyl-14-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadeca-2,6,10,15-tetraenoic acid
| Internal ID | de7fa9ff-e399-44e8-a182-635f2a354594 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides > Diterpene glycosides |
| IUPAC Name | 4-hydroxy-10-(hydroxymethyl)-2,6,14-trimethyl-14-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadeca-2,6,10,15-tetraenoic acid |
| SMILES (Canonical) | CC(=CCCC(=CCCC(C)(C=C)OC1C(C(C(C(O1)CO)O)O)O)CO)CC(C=C(C)C(=O)O)O |
| SMILES (Isomeric) | CC(=CCCC(=CCCC(C)(C=C)OC1C(C(C(C(O1)CO)O)O)O)CO)CC(C=C(C)C(=O)O)O |
| InChI | InChI=1S/C26H42O10/c1-5-26(4,36-25-23(32)22(31)21(30)20(15-28)35-25)11-7-10-18(14-27)9-6-8-16(2)12-19(29)13-17(3)24(33)34/h5,8,10,13,19-23,25,27-32H,1,6-7,9,11-12,14-15H2,2-4H3,(H,33,34) |
| InChI Key | XQQKZIVFXGPJHN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H42O10 |
| Molecular Weight | 514.60 g/mol |
| Exact Mass | 514.27779753 g/mol |
| Topological Polar Surface Area (TPSA) | 177.00 Ų |
| XlogP | 1.20 |
| There are no found synonyms. |
![2D Structure of 4-Hydroxy-10-(hydroxymethyl)-2,6,14-trimethyl-14-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadeca-2,6,10,15-tetraenoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/66e536e0-86b7-11ee-9b43-8fe8ff739fc3.jpg "2D Structure of 4-Hydroxy-10-(hydroxymethyl)-2,6,14-trimethyl-14-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadeca-2,6,10,15-tetraenoic acid")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.91% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.13% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.96% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.63% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.04% | 94.73% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 90.91% | 96.47% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.29% | 97.25% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 88.71% | 98.75% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.29% | 96.95% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 84.70% | 92.29% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 84.42% | 82.50% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.81% | 91.19% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.13% | 86.33% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.03% | 93.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.83% | 96.00% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 80.35% | 94.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.12% | 100.00% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 80.01% | 85.00% |
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 | 72733435 |
| LOTUS | LTS0076366 |
| wikiData | Q105339975 |