2,6,10,15-Hexadecatetraenoic acid, 14-[(2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-4-hydroxy-2,6,10,14-tetramethyl-
| Internal ID | de0b9f6e-f006-4cd8-a106-8f477599f69b |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Sophorolipids |
| IUPAC Name | 14-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraenoic acid |
| SMILES (Canonical) | CC(=CCCC(C)(C=C)OC1C(C(C(C(O1)CO)O)O)OC2C(C(C(C(O2)CO)O)O)O)CCC=C(C)CC(C=C(C)C(=O)O)O |
| SMILES (Isomeric) | CC(=CCCC(C)(C=C)OC1C(C(C(C(O1)CO)O)O)OC2C(C(C(C(O2)CO)O)O)O)CCC=C(C)CC(C=C(C)C(=O)O)O |
| InChI | InChI=1S/C32H52O14/c1-6-32(5,12-8-11-17(2)9-7-10-18(3)13-20(35)14-19(4)29(41)42)46-31-28(26(39)24(37)22(16-34)44-31)45-30-27(40)25(38)23(36)21(15-33)43-30/h6,10-11,14,20-28,30-31,33-40H,1,7-9,12-13,15-16H2,2-5H3,(H,41,42) |
| InChI Key | ISQUNAAALVXWGI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H52O14 |
| Molecular Weight | 660.70 g/mol |
| Exact Mass | 660.33570633 g/mol |
| Topological Polar Surface Area (TPSA) | 236.00 Ų |
| XlogP | 0.80 |
| 121961-81-7 |
| 2,6,10,15-Hexadecatetraenoic acid, 14-[(2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-4-hydroxy-2,6,10,14-tetramethyl- |
![2D Structure of 2,6,10,15-Hexadecatetraenoic acid, 14-[(2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-4-hydroxy-2,6,10,14-tetramethyl-](https://plantaedb.com/storage/docs/compounds/2023/11/668cad30-8592-11ee-b26e-a178a78aa2e5.jpg "2D Structure of 2,6,10,15-Hexadecatetraenoic acid, 14-[(2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-4-hydroxy-2,6,10,14-tetramethyl-")
| 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 | 97.21% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.14% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.68% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.07% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.79% | 94.73% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.74% | 97.25% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 91.47% | 96.47% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 88.59% | 98.75% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.28% | 96.95% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 85.13% | 92.29% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.90% | 91.19% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.17% | 86.33% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 81.69% | 82.50% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.19% | 92.50% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.08% | 94.33% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.84% | 95.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.59% | 100.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.56% | 97.21% |
| 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 | 72733434 |
| LOTUS | LTS0109665 |
| wikiData | Q105119738 |