Clavaminol A
| Internal ID | 1b43e497-535c-4039-9230-fbaaaa67ef10 |
| Taxonomy | Organic nitrogen compounds > Organonitrogen compounds > Amines > Alkanolamines > 1,2-aminoalcohols |
| IUPAC Name | (2R,3S)-2-aminododecan-3-ol |
| SMILES (Canonical) | CCCCCCCCCC(C(C)N)O |
| SMILES (Isomeric) | CCCCCCCCC[C@@H]([C@@H](C)N)O |
| InChI | InChI=1S/C12H27NO/c1-3-4-5-6-7-8-9-10-12(14)11(2)13/h11-12,14H,3-10,13H2,1-2H3/t11-,12+/m1/s1 |
| InChI Key | AGYWAEBSOUKZJQ-NEPJUHHUSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C12H27NO |
| Molecular Weight | 201.35 g/mol |
| Exact Mass | 201.209264485 g/mol |
| Topological Polar Surface Area (TPSA) | 46.20 Ų |
| XlogP | 3.60 |
| (2R,3S)-2-aminododecan-3-ol |
| RefChem:126819 |
| CHEMBL226604 |
| 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 |
|---|---|---|---|---|
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 98.23% | 97.29% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 96.48% | 92.86% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.37% | 96.09% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 95.54% | 87.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.70% | 98.95% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 92.23% | 85.94% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 91.19% | 93.31% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.81% | 99.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.75% | 97.25% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 87.47% | 93.18% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.14% | 93.56% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 86.60% | 95.58% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 86.41% | 100.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.22% | 96.47% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 85.35% | 89.63% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 84.56% | 92.08% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 83.87% | 97.79% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.53% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.71% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.96% | 90.17% |
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.
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| There are no matching plants. |
| PubChem | 16739261 |
| LOTUS | LTS0189284 |
| wikiData | Q104912102 |