Crithmumdiol
| Internal ID | c7996669-79b0-49e7-9e3f-88b40c46a248 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Long-chain fatty alcohols |
| IUPAC Name | (4E,9E)-heptadeca-1,4,9-trien-6-yne-3,8-diol |
| SMILES (Canonical) | CCCCCCCC=CC(C#CC=CC(C=C)O)O |
| SMILES (Isomeric) | CCCCCCC/C=C/C(C#C/C=C/C(C=C)O)O |
| InChI | InChI=1S/C17H26O2/c1-3-5-6-7-8-9-10-14-17(19)15-12-11-13-16(18)4-2/h4,10-11,13-14,16-19H,2-3,5-9H2,1H3/b13-11+,14-10+ |
| InChI Key | LCHMNLCUPRABCV-CKNIOMRDSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C17H26O2 |
| Molecular Weight | 262.40 g/mol |
| Exact Mass | 262.193280068 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 4.60 |
| 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 | 95.57% | 98.95% |
| CHEMBL240 | Q12809 | HERG | 95.18% | 89.76% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 94.07% | 97.29% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.61% | 99.17% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 93.07% | 87.45% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 92.42% | 85.94% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.86% | 96.09% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 91.83% | 91.81% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 91.24% | 92.86% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 89.71% | 92.08% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 88.28% | 93.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.49% | 91.11% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 86.73% | 95.17% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 85.32% | 92.88% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 85.29% | 100.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.61% | 90.17% |
| CHEMBL256 | P0DMS8 | Adenosine A3 receptor | 82.73% | 95.93% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 81.43% | 96.38% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.78% | 97.25% |
| CHEMBL279 | P35968 | Vascular endothelial growth factor receptor 2 | 80.35% | 95.52% |
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.
| Crithmum maritimum |
| PubChem | 131751506 |
| LOTUS | LTS0214576 |
| wikiData | Q105149825 |