[3-Hydroxy-4-(2-hydroxy-6-methylheptan-2-yl)phenyl]methyl 3-hydroxy-4-(2-hydroxy-6-methylheptan-2-yl)benzoate
| Internal ID | 79f614a0-3977-496b-b5f2-6b88622a3439 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | [3-hydroxy-4-(2-hydroxy-6-methylheptan-2-yl)phenyl]methyl 3-hydroxy-4-(2-hydroxy-6-methylheptan-2-yl)benzoate |
| SMILES (Canonical) | CC(C)CCCC(C)(C1=C(C=C(C=C1)COC(=O)C2=CC(=C(C=C2)C(C)(CCCC(C)C)O)O)O)O |
| SMILES (Isomeric) | CC(C)CCCC(C)(C1=C(C=C(C=C1)COC(=O)C2=CC(=C(C=C2)C(C)(CCCC(C)C)O)O)O)O |
| InChI | InChI=1S/C30H44O6/c1-20(2)9-7-15-29(5,34)24-13-11-22(17-26(24)31)19-36-28(33)23-12-14-25(27(32)18-23)30(6,35)16-8-10-21(3)4/h11-14,17-18,20-21,31-32,34-35H,7-10,15-16,19H2,1-6H3 |
| InChI Key | KNIRNRYVMBOJSZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H44O6 |
| Molecular Weight | 500.70 g/mol |
| Exact Mass | 500.31378912 g/mol |
| Topological Polar Surface Area (TPSA) | 107.00 Ų |
| XlogP | 7.50 |
| There are no found synonyms. |
![2D Structure of [3-Hydroxy-4-(2-hydroxy-6-methylheptan-2-yl)phenyl]methyl 3-hydroxy-4-(2-hydroxy-6-methylheptan-2-yl)benzoate](https://plantaedb.com/storage/docs/compounds/2023/11/44e29f60-874e-11ee-8fda-7d3a001586ee.jpg "2D Structure of [3-Hydroxy-4-(2-hydroxy-6-methylheptan-2-yl)phenyl]methyl 3-hydroxy-4-(2-hydroxy-6-methylheptan-2-yl)benzoate")
| 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 |
|---|---|---|---|---|
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 99.08% | 85.31% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.43% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.72% | 99.17% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 93.89% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.68% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.17% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.05% | 94.73% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 90.53% | 85.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.27% | 86.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.13% | 90.71% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.63% | 91.49% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.40% | 95.89% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.21% | 98.75% |
| CHEMBL1907588 | P02708 | Acetylcholine receptor; alpha1/beta1/delta/gamma | 85.89% | 98.33% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.03% | 96.95% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 84.00% | 97.29% |
| CHEMBL236 | P41143 | Delta opioid receptor | 83.46% | 99.35% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 83.46% | 92.97% |
| CHEMBL3194 | P02766 | Transthyretin | 82.56% | 90.71% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 82.53% | 97.21% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 82.38% | 94.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.00% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.07% | 95.56% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 80.84% | 92.51% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.24% | 94.45% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.06% | 93.56% |
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.
| There are no matching plants. |
| PubChem | 162985532 |
| LOTUS | LTS0035596 |
| wikiData | Q104170441 |