Phloionolic acid
Internal ID | 075e2083-e245-407e-8291-118825013b66 |
Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Long-chain fatty acids |
IUPAC Name | 9,10,18-trihydroxyoctadecanoic acid |
SMILES (Canonical) | C(CCCCO)CCCC(C(CCCCCCCC(=O)O)O)O |
SMILES (Isomeric) | C(CCCCO)CCCC(C(CCCCCCCC(=O)O)O)O |
InChI | InChI=1S/C18H36O5/c19-15-11-7-2-1-4-8-12-16(20)17(21)13-9-5-3-6-10-14-18(22)23/h16-17,19-21H,1-15H2,(H,22,23) |
InChI Key | OISFHODBOQNZAG-UHFFFAOYSA-N |
Popularity | 59 references in papers |
Molecular Formula | C18H36O5 |
Molecular Weight | 332.50 g/mol |
Exact Mass | 332.25627424 g/mol |
Topological Polar Surface Area (TPSA) | 98.00 Ų |
XlogP | 3.60 |
9,10,18-trihydroxyoctadecanoic acid |
496-86-6 |
9,10,18-trihydroxy-octadecanoic acid |
9,10,18-trihydroxystearic acid |
UNII-9E7QH7XW34 |
Octadecanoic acid, 9,10,18-trihydroxy- |
9E7QH7XW34 |
9,10,18-Trihydroxy-stearic acid |
9,10,18-trihydroxystearate |
Aleutiric acid |
There are more than 10 synonyms. If you wish to see them all click here. |
![2D Structure of Phloionolic acid 2D Structure of Phloionolic acid](https://plantaedb.com/storage/docs/compounds/2023/11/phloionolic-acid.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 |
---|---|---|---|---|
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.42% | 96.09% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.34% | 99.17% |
CHEMBL4040 | P28482 | MAP kinase ERK2 | 91.89% | 83.82% |
CHEMBL2581 | P07339 | Cathepsin D | 91.36% | 98.95% |
CHEMBL5285 | Q99683 | Mitogen-activated protein kinase kinase kinase 5 | 90.79% | 92.26% |
CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 85.12% | 97.29% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.49% | 91.11% |
CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 82.82% | 100.00% |
CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.89% | 100.00% |
CHEMBL1781 | P11387 | DNA topoisomerase I | 81.58% | 97.00% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.58% | 95.50% |
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.
Pinus radiata |
Rosmarinus officinalis |
PubChem | 5282938 |
LOTUS | LTS0201845 |
wikiData | Q105280175 |