(4S,8R,12R)-13-hept-6-enoxy-4,8,12-trimethyl-13-oxotridecanoic acid
| Internal ID | 3d3738c2-ad6b-4fc0-8806-b57eb116ff4f |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | (4S,8R,12R)-13-hept-6-enoxy-4,8,12-trimethyl-13-oxotridecanoic acid |
| SMILES (Canonical) | CC(CCCC(C)CCC(=O)O)CCCC(C)C(=O)OCCCCCC=C |
| SMILES (Isomeric) | C[C@H](CCC[C@H](C)CCC(=O)O)CCC[C@@H](C)C(=O)OCCCCCC=C |
| InChI | InChI=1S/C23H42O4/c1-5-6-7-8-9-18-27-23(26)21(4)15-11-14-19(2)12-10-13-20(3)16-17-22(24)25/h5,19-21H,1,6-18H2,2-4H3,(H,24,25)/t19-,20+,21-/m1/s1 |
| InChI Key | PASMASQJCDKBJK-QHAWAJNXSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H42O4 |
| Molecular Weight | 382.60 g/mol |
| Exact Mass | 382.30830982 g/mol |
| Topological Polar Surface Area (TPSA) | 63.60 Ų |
| XlogP | 7.50 |
| 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 | 95.86% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.57% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.47% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.67% | 90.17% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 90.08% | 97.29% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 89.60% | 96.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 88.86% | 96.47% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 88.01% | 87.45% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 87.70% | 89.34% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.57% | 94.45% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.60% | 96.00% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 84.57% | 100.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 83.40% | 83.82% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.00% | 91.19% |
| CHEMBL5285 | Q99683 | Mitogen-activated protein kinase kinase kinase 5 | 82.97% | 92.26% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.34% | 93.56% |
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.
| Lepidium sativum |
| PubChem | 162863126 |
| LOTUS | LTS0090790 |
| wikiData | Q105204707 |