(2R,11E,15E)-16-bromohexadeca-11,15-dien-3,5,13-triyne-1,2-diol
| Internal ID | af9c1296-098d-4d19-8100-28466271ab09 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Polyols > 1,2-diols |
| IUPAC Name | (2R,11E,15E)-16-bromohexadeca-11,15-dien-3,5,13-triyne-1,2-diol |
| SMILES (Canonical) | C(CCC#CC#CC(CO)O)CC=CC#CC=CBr |
| SMILES (Isomeric) | C(CCC#CC#C[C@H](CO)O)C/C=C/C#C/C=C/Br |
| InChI | InChI=1S/C16H17BrO2/c17-14-12-10-8-6-4-2-1-3-5-7-9-11-13-16(19)15-18/h4,6,12,14,16,18-19H,1-3,5,15H2/b6-4+,14-12+/t16-/m1/s1 |
| InChI Key | DJSFMRMJRHIIBW-RHTBCCFSSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C16H17BrO2 |
| Molecular Weight | 321.21 g/mol |
| Exact Mass | 320.04119 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 3.40 |
| 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 |
|---|---|---|---|---|
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.26% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.98% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.31% | 94.45% |
| CHEMBL2637 | P53779 | c-Jun N-terminal kinase 3 | 87.25% | 92.75% |
| CHEMBL279 | P35968 | Vascular endothelial growth factor receptor 2 | 86.91% | 95.52% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.69% | 91.11% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 84.78% | 96.38% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 82.84% | 97.29% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.44% | 96.00% |
| CHEMBL3587 | Q02750 | Dual specificity mitogen-activated protein kinase kinase 1 | 81.38% | 97.93% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 80.47% | 92.86% |
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 | 101768554 |
| LOTUS | LTS0138138 |
| wikiData | Q104982721 |