N-(3,4-dihydroxybutyl)-2,6,9-trihydroxy-4,8-dimethylundeca-3,7-dienamide
| Internal ID | e628f55a-7ae5-445f-b6c6-cc362252e3c8 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Acyclic monoterpenoids |
| IUPAC Name | N-(3,4-dihydroxybutyl)-2,6,9-trihydroxy-4,8-dimethylundeca-3,7-dienamide |
| SMILES (Canonical) | CCC(C(=CC(CC(=CC(C(=O)NCCC(CO)O)O)C)O)C)O |
| SMILES (Isomeric) | CCC(C(=CC(CC(=CC(C(=O)NCCC(CO)O)O)C)O)C)O |
| InChI | InChI=1S/C17H31NO6/c1-4-15(22)12(3)9-14(21)7-11(2)8-16(23)17(24)18-6-5-13(20)10-19/h8-9,13-16,19-23H,4-7,10H2,1-3H3,(H,18,24) |
| InChI Key | AQINPXOVNPWDNW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H31NO6 |
| Molecular Weight | 345.40 g/mol |
| Exact Mass | 345.21513771 g/mol |
| Topological Polar Surface Area (TPSA) | 130.00 Ų |
| XlogP | 0.10 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.03% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.57% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.13% | 96.09% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 89.78% | 98.75% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.70% | 85.14% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 88.35% | 97.29% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.79% | 91.11% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 86.17% | 89.34% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 85.85% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.32% | 91.19% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.18% | 94.33% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.85% | 100.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.40% | 96.95% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.36% | 93.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.04% | 94.73% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 81.00% | 97.21% |
| CHEMBL3776 | Q14790 | Caspase-8 | 80.60% | 97.06% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.10% | 95.50% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 80.06% | 97.23% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 80.04% | 94.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 163063308 |
| LOTUS | LTS0073727 |
| wikiData | Q103816348 |