(2E,6E,8E)-10,11-dihydroxy-N-(2-hydroxy-2-methylpropyl)dodeca-2,6,8-trienamide
Internal ID | 61db5ab7-a5c5-4b13-869c-d7bba8d03190 |
Taxonomy | Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Tertiary alcohols |
IUPAC Name | (2E,6E,8E)-10,11-dihydroxy-N-(2-hydroxy-2-methylpropyl)dodeca-2,6,8-trienamide |
SMILES (Canonical) | CC(C(C=CC=CCCC=CC(=O)NCC(C)(C)O)O)O |
SMILES (Isomeric) | CC(C(/C=C/C=C/CC/C=C/C(=O)NCC(C)(C)O)O)O |
InChI | InChI=1S/C16H27NO4/c1-13(18)14(19)10-8-6-4-5-7-9-11-15(20)17-12-16(2,3)21/h4,6,8-11,13-14,18-19,21H,5,7,12H2,1-3H3,(H,17,20)/b6-4+,10-8+,11-9+ |
InChI Key | XZFVWEROJZOTMT-CUEVNBJKSA-N |
Popularity | 0 references in papers |
Molecular Formula | C16H27NO4 |
Molecular Weight | 297.39 g/mol |
Exact Mass | 297.19400834 g/mol |
Topological Polar Surface Area (TPSA) | 89.80 Ų |
XlogP | 0.70 |
There are no found synonyms. |
![2D Structure of (2E,6E,8E)-10,11-dihydroxy-N-(2-hydroxy-2-methylpropyl)dodeca-2,6,8-trienamide 2D Structure of (2E,6E,8E)-10,11-dihydroxy-N-(2-hydroxy-2-methylpropyl)dodeca-2,6,8-trienamide](https://plantaedb.com/storage/docs/compounds/2023/11/2e6e8e-1011-dihydroxy-n-2-hydroxy-2-methylpropyldodeca-268-trienamide.jpg)
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 | 96.00% | 98.95% |
CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 93.48% | 89.34% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.56% | 85.14% |
CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 91.60% | 100.00% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.72% | 96.09% |
CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 88.69% | 95.71% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.96% | 97.25% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.62% | 99.17% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.80% | 91.11% |
CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.32% | 93.56% |
CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.01% | 94.33% |
CHEMBL3401 | O75469 | Pregnane X receptor | 83.01% | 94.73% |
CHEMBL3778 | Q9NWZ3 | Interleukin-1 receptor-associated kinase 4 | 82.61% | 97.29% |
CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 82.52% | 98.75% |
CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.52% | 96.47% |
CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 82.07% | 97.29% |
CHEMBL4015 | P41597 | C-C chemokine receptor type 2 | 80.86% | 98.57% |
CHEMBL1907588 | P02708 | Acetylcholine receptor; alpha1/beta1/delta/gamma | 80.64% | 98.33% |
CHEMBL4040 | P28482 | MAP kinase ERK2 | 80.57% | 83.82% |
CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.29% | 100.00% |
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.
Zanthoxylum bungeanum |
PubChem | 132575017 |
LOTUS | LTS0207414 |
wikiData | Q105344906 |